A1ANG

(3R)-3-[(4-fluorophenyl)methyl]piperidine

Created:	2024-04-15
Last modified:	2024-04-24

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1 entries where A1ANG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	31
Aromatic Bond Count	6

2D diagram of A1ANG

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Chemical Component Summary
Name	(3R)-3-[(4-fluorophenyl)methyl]piperidine
Systematic Name (OpenEye OEToolkits)	(3~{S})-3-[(4-fluorophenyl)methyl]piperidine
Formula	C₁₂ H₁₆ F N
Molecular Weight	193.261
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(cc1)CC1CCCNC1
SMILES	CACTVS	3.385	Fc1ccc(C[CH]2CCCNC2)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CC2CCCNC2)F
Canonical SMILES	CACTVS	3.385	Fc1ccc(C[C@@H]2CCCNC2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C[C@@H]2CCCNC2)F
InChI	InChI	1.06	InChI=1S/C12H16FN/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h3-6,11,14H,1-2,7-9H2/t11-/m1/s1
InChIKey	InChI	1.06	WATWKPHWUDHKGA-LLVKDONJSA-N

Related Resource References

Resource Name	Reference
PubChem	12174831

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