1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one

C18H25ClN2O — CID 71184749

IUPAC1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one
SMILESNC[C@]1(c2cccc(Cl)c2)CC[C@@H](N2CCCCC2=O)CC1
InChIInChI=1S/C18H25ClN2O/c19-15-5-3-4-14(12-15)18(13-20)9-7-16(8-10-18)21-11-2-1-6-17(21)22/h3-5,12,16H,1-2,6-11,13,20H2/t16-,18+
InChIKeyHPAJLBAQCKXNNT-MAEOIBBWSA-N
MW320.86 g/mol
LogP3.49
Rot. Bonds3

About 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one

1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one (PubChem CID 71184749) has the molecular formula C18H25ClN2O and a molecular weight of 320.86 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one
PubChem CID71184749
Molecular FormulaC18H25ClN2O
Molecular Weight320.86 g/mol
Exact Mass320.17
IUPAC Name1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one
SMILESNC[C@]1(c2cccc(Cl)c2)CC[C@@H](N2CCCCC2=O)CC1
InChIInChI=1S/C18H25ClN2O/c19-15-5-3-4-14(12-15)18(13-20)9-7-16(8-10-18)21-11-2-1-6-17(21)22/h3-5,12,16H,1-2,6-11,13,20H2/t16-,18+
InChIKeyHPAJLBAQCKXNNT-MAEOIBBWSA-N
XLogP3.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one?
The IUPAC name of 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one (CID 71184749) is 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one.
What is the SMILES notation for 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one?
The canonical SMILES for 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one is NC[C@]1(c2cccc(Cl)c2)CC[C@@H](N2CCCCC2=O)CC1.
What is the InChIKey of 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one?
The InChIKey is HPAJLBAQCKXNNT-MAEOIBBWSA-N. The full InChI is InChI=1S/C18H25ClN2O/c19-15-5-3-4-14(12-15)18(13-20)9-7-16(8-10-18)21-11-2-1-6-17(21)22/h3-5,12,16H,1-2,6-11,13,20H2/t16-,18+.
What are the key properties of 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one?
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one has a molecular weight of 320.86 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one is sourced from PubChem (CID 71184749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).