2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

C20H30N2O2 — CID 136583741

IUPAC2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1CC[C@H](c2ccccc2)[C@H](CO)C1
InChIInChI=1S/C20H30N2O2/c1-16-7-5-6-11-22(16)20(24)14-21-12-10-19(18(13-21)15-23)17-8-3-2-4-9-17/h2-4,8-9,16,18-19,23H,5-7,10-15H2,1H3/t16?,18-,19+/m0/s1
InChIKeyBKGFODZNXGZTHK-NGFYBIIMSA-N
MW330.47 g/mol
LogP2.49
Rot. Bonds4

About 2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 136583741) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID136583741
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1CC[C@H](c2ccccc2)[C@H](CO)C1
InChIInChI=1S/C20H30N2O2/c1-16-7-5-6-11-22(16)20(24)14-21-12-10-19(18(13-21)15-23)17-8-3-2-4-9-17/h2-4,8-9,16,18-19,23H,5-7,10-15H2,1H3/t16?,18-,19+/m0/s1
InChIKeyBKGFODZNXGZTHK-NGFYBIIMSA-N
XLogP2.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)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

2-(4-amino-3-ethylpiperidin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 81458745
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
2-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]acetic acid
CID 129434571
[(3S,4R)-1-butyl-4-phenylpiperidin-3-yl]methanol
CID 70364830
1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone
CID 95353092
1-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 127272562
2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 92987749
3-[[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]benzoic acid
CID 136583635
2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
CID 79328192
2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 63873492
1-(2-methylpiperidin-1-yl)-2-[4-[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 164633722
N-[(2-fluorophenyl)methyl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045272

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 136583741) is 2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CN1CC[C@H](c2ccccc2)[C@H](CO)C1.
What is the InChIKey of 2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is BKGFODZNXGZTHK-NGFYBIIMSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16-7-5-6-11-22(16)20(24)14-21-12-10-19(18(13-21)15-23)17-8-3-2-4-9-17/h2-4,8-9,16,18-19,23H,5-7,10-15H2,1H3/t16?,18-,19+/m0/s1.
What are the key properties of 2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 330.47 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 136583741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).