[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone

C23H42N2O3 — CID 140646765

IUPAC[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone
SMILESCC1CC(C(=O)N2CCC(C3CCCC(CN)C3)CC2)CC(C(C)(C)O)C1O
InChIInChI=1S/C23H42N2O3/c1-15-11-19(13-20(21(15)26)23(2,3)28)22(27)25-9-7-17(8-10-25)18-6-4-5-16(12-18)14-24/h15-21,26,28H,4-14,24H2,1-3H3
InChIKeyBUJWPBCKHOXPSG-UHFFFAOYSA-N
MW394.60 g/mol
LogP2.78
Rot. Bonds4

About [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone

[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone (PubChem CID 140646765) has the molecular formula C23H42N2O3 and a molecular weight of 394.60 g/mol. Its IUPAC name is [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone.

Molecular Properties

Compound Name[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone
PubChem CID140646765
Molecular FormulaC23H42N2O3
Molecular Weight394.60 g/mol
Exact Mass394.32
IUPAC Name[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone
SMILESCC1CC(C(=O)N2CCC(C3CCCC(CN)C3)CC2)CC(C(C)(C)O)C1O
InChIInChI=1S/C23H42N2O3/c1-15-11-19(13-20(21(15)26)23(2,3)28)22(27)25-9-7-17(8-10-25)18-6-4-5-16(12-18)14-24/h15-21,26,28H,4-14,24H2,1-3H3
InChIKeyBUJWPBCKHOXPSG-UHFFFAOYSA-N
XLogP2.78
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.60
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone 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

[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-(3,4,5-trihydroxycyclohexyl)methanone
CID 140644306
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]cyclohexyl]methanone
CID 140646796
N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-[hydroxy(dimethyl)silyl]acetamide
CID 140644416
tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate
CID 140646692
N-[3-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]cyclohexyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide
CID 140646753
[7-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]spiro[3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ium-1,1'-azolidin-1-ium]-2-yl]boronic acid
CID 163455750
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone
CID 114960256
(E)-1-[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-3-(4-cyclopropyl-3-hydroxycyclohexyl)prop-2-en-1-one
CID 140646812
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-[hydroxy(dimethyl)silyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methanone
CID 140644455
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[2-[[hydroxy(dimethyl)silyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]methanone
CID 140644467
[5-[4-[3-(aminomethyl)cyclohexyl]piperidine-1-carbonyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]boronic acid
CID 140644379

Frequently Asked Questions

What is the IUPAC name of [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone?
The IUPAC name of [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone (CID 140646765) is [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone.
What is the SMILES notation for [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone?
The canonical SMILES for [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone is CC1CC(C(=O)N2CCC(C3CCCC(CN)C3)CC2)CC(C(C)(C)O)C1O.
What is the InChIKey of [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone?
The InChIKey is BUJWPBCKHOXPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O3/c1-15-11-19(13-20(21(15)26)23(2,3)28)22(27)25-9-7-17(8-10-25)18-6-4-5-16(12-18)14-24/h15-21,26,28H,4-14,24H2,1-3H3.
What are the key properties of [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone?
[4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone has a molecular weight of 394.60 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(aminomethyl)cyclohexyl]piperidin-1-yl]-[4-hydroxy-3-(2-hydroxypropan-2-yl)-5-methylcyclohexyl]methanone is sourced from PubChem (CID 140646765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).