[(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone

C19H27FN2O — CID 59102662

IUPAC[(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
SMILESN[C@@H]1CCCC[C@H]1C(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H27FN2O/c20-16-9-7-14(8-10-16)12-15-4-3-11-22(13-15)19(23)17-5-1-2-6-18(17)21/h7-10,15,17-18H,1-6,11-13,21H2/t15-,17+,18+/m0/s1
InChIKeyMLCNGMDZKQSWDC-CGTJXYLNSA-N
MW318.44 g/mol
LogP3.12
Rot. Bonds3

About [(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone

[(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone (PubChem CID 59102662) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is [(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
PubChem CID59102662
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name[(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
SMILESN[C@@H]1CCCC[C@H]1C(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H27FN2O/c20-16-9-7-14(8-10-16)12-15-4-3-11-22(13-15)19(23)17-5-1-2-6-18(17)21/h7-10,15,17-18H,1-6,11-13,21H2/t15-,17+,18+/m0/s1
InChIKeyMLCNGMDZKQSWDC-CGTJXYLNSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R)-2-aminocyclopentyl]-[(3S)-3-benzylpyrrolidin-1-yl]methanone
CID 124777626
(2-aminocyclopentyl)-(3-benzylpyrrolidin-1-yl)methanone;hydrochloride
CID 119725013
benzyl N-[2-[3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]cyclohexyl]carbamate
CID 23590709
(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59084329
1-[2-(dimethylamino)ethyl]-3-[(1R,2R)-2-[(3S)-3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]cyclohexyl]urea
CID 10113681
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 119326399
1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine
CID 142103479
2-[3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166224707
(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625103
[(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699020
(2-aminocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 64824388
1-cyano-2-[(1R,2R)-2-[(3S)-3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]cyclohexyl]-1-[4-(1-methyltetrazol-5-yl)phenyl]guanidine
CID 91424219

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone (CID 59102662) is [(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone is N[C@@H]1CCCC[C@H]1C(=O)N1CCC[C@@H](Cc2ccc(F)cc2)C1.
What is the InChIKey of [(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is MLCNGMDZKQSWDC-CGTJXYLNSA-N. The full InChI is InChI=1S/C19H27FN2O/c20-16-9-7-14(8-10-16)12-15-4-3-11-22(13-15)19(23)17-5-1-2-6-18(17)21/h7-10,15,17-18H,1-6,11-13,21H2/t15-,17+,18+/m0/s1.
What are the key properties of [(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone?
[(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 318.44 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 59102662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).