[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride

C20H30ClFN2O2 — CID 155939923

IUPAC[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
SMILESCO[C@@H]1CC[C@H](C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C[C@H]1N.Cl
InChIInChI=1S/C20H29FN2O2.ClH/c1-25-19-7-4-16(13-18(19)22)20(24)23-10-8-15(9-11-23)12-14-2-5-17(21)6-3-14;/h2-3,5-6,15-16,18-19H,4,7-13,22H2,1H3;1H/t16-,18+,19+;/m0./s1
InChIKeyHAYAAFSZYQPEDF-MBHUSPCXSA-N
MW384.92 g/mol
LogP3.17
Rot. Bonds4

About [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride

[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride (PubChem CID 155939923) has the molecular formula C20H30ClFN2O2 and a molecular weight of 384.92 g/mol. Its IUPAC name is [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
PubChem CID155939923
Molecular FormulaC20H30ClFN2O2
Molecular Weight384.92 g/mol
Exact Mass384.20
IUPAC Name[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
SMILESCO[C@@H]1CC[C@H](C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C[C@H]1N.Cl
InChIInChI=1S/C20H29FN2O2.ClH/c1-25-19-7-4-16(13-18(19)22)20(24)23-10-8-15(9-11-23)12-14-2-5-17(21)6-3-14;/h2-3,5-6,15-16,18-19H,4,7-13,22H2,1H3;1H/t16-,18+,19+;/m0./s1
InChIKeyHAYAAFSZYQPEDF-MBHUSPCXSA-N
XLogP3.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.92
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 163334101
[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 155493423
methyl N-[(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 97187729
(3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119758474
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119765874
1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45195395
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 119767330
1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone
CID 155992946
[(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699739
(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95301170
[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 154817199

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride (CID 155939923) is [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride is CO[C@@H]1CC[C@H](C(=O)N2CCC(Cc3ccc(F)cc3)CC2)C[C@H]1N.Cl.
What is the InChIKey of [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride?
The InChIKey is HAYAAFSZYQPEDF-MBHUSPCXSA-N. The full InChI is InChI=1S/C20H29FN2O2.ClH/c1-25-19-7-4-16(13-18(19)22)20(24)23-10-8-15(9-11-23)12-14-2-5-17(21)6-3-14;/h2-3,5-6,15-16,18-19H,4,7-13,22H2,1H3;1H/t16-,18+,19+;/m0./s1.
What are the key properties of [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride?
[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride has a molecular weight of 384.92 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 155939923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).