1-benzyl-3-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-3-ol

C16H22N2O — CID 130510441

IUPAC1-benzyl-3-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-3-ol
SMILESOC1(C2C=CCN2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O/c19-16(15-8-4-10-17-15)9-5-11-18(13-16)12-14-6-2-1-3-7-14/h1-4,6-8,15,17,19H,5,9-13H2
InChIKeyYHPLMTFTZQADLI-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.54
Rot. Bonds3

About 1-benzyl-3-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-3-ol

1-benzyl-3-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-3-ol (PubChem CID 130510441) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-benzyl-3-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-3-ol
PubChem CID130510441
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-benzyl-3-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-3-ol
SMILESOC1(C2C=CCN2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O/c19-16(15-8-4-10-17-15)9-5-11-18(13-16)12-14-6-2-1-3-7-14/h1-4,6-8,15,17,19H,5,9-13H2
InChIKeyYHPLMTFTZQADLI-UHFFFAOYSA-N
XLogP1.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-cyclopentylazepan-3-ol
CID 83826093
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol
CID 83669932
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
sodium 1-benzyl-3-hydroxypiperidine-3-sulfonate
CID 103574532
1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride
CID 19095553

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-3-ol?
The IUPAC name of 1-benzyl-3-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-3-ol (CID 130510441) is 1-benzyl-3-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-3-ol.
What is the SMILES notation for 1-benzyl-3-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-3-ol?
The canonical SMILES for 1-benzyl-3-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-3-ol is OC1(C2C=CCN2)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-3-ol?
The InChIKey is YHPLMTFTZQADLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(15-8-4-10-17-15)9-5-11-18(13-16)12-14-6-2-1-3-7-14/h1-4,6-8,15,17,19H,5,9-13H2.
What are the key properties of 1-benzyl-3-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-3-ol?
1-benzyl-3-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-3-ol has a molecular weight of 258.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,5-dihydro-1H-pyrrol-2-yl)piperidin-3-ol is sourced from PubChem (CID 130510441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).