1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone

C19H27NO2 — CID 111109085

IUPAC1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone
SMILESO=C(CC1CCC(c2ccccc2)CC1)N1CCCC(O)C1
InChIInChI=1S/C19H27NO2/c21-18-7-4-12-20(14-18)19(22)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,15,17-18,21H,4,7-14H2
InChIKeyGCRXBDDSRYUSNN-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.33
Rot. Bonds3

About 1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone

1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone (PubChem CID 111109085) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone
PubChem CID111109085
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone
SMILESO=C(CC1CCC(c2ccccc2)CC1)N1CCCC(O)C1
InChIInChI=1S/C19H27NO2/c21-18-7-4-12-20(14-18)19(22)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,15,17-18,21H,4,7-14H2
InChIKeyGCRXBDDSRYUSNN-UHFFFAOYSA-N
XLogP3.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone 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

(3S)-1-[2-(4-phenylcyclohexyl)acetyl]piperidine-3-carboxylic acid
CID 119174116
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 119595751
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-phenylcyclohexyl)ethanone;hydrochloride
CID 119486230
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 119562932
1-[(3S)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 95782518
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone;hydrochloride
CID 119624456
(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 78971302
2-cyclobutyl-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 103745565
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 120805459
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
1-(3-hydroxypiperidin-1-yl)-2,2-diphenylethanone
CID 110868603
2-(2-hydroxyphenyl)-1-(3-phenylpiperidin-1-yl)ethanone
CID 141126673

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone (CID 111109085) is 1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone is O=C(CC1CCC(c2ccccc2)CC1)N1CCCC(O)C1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone?
The InChIKey is GCRXBDDSRYUSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c21-18-7-4-12-20(14-18)19(22)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,15,17-18,21H,4,7-14H2.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone?
1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone has a molecular weight of 301.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-2-(4-phenylcyclohexyl)ethanone is sourced from PubChem (CID 111109085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).