1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone

C14H19NO2 — CID 105493019

IUPAC1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CC2(O)CCCNC2)cc1
InChIInChI=1S/C14H19NO2/c1-11(16)13-5-3-12(4-6-13)9-14(17)7-2-8-15-10-14/h3-6,15,17H,2,7-10H2,1H3
InChIKeyBSAWOPOLAABJLU-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.55
Rot. Bonds3

About 1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone

1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone (PubChem CID 105493019) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone
PubChem CID105493019
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CC2(O)CCCNC2)cc1
InChIInChI=1S/C14H19NO2/c1-11(16)13-5-3-12(4-6-13)9-14(17)7-2-8-15-10-14/h3-6,15,17H,2,7-10H2,1H3
InChIKeyBSAWOPOLAABJLU-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylphenyl)methyl]piperidin-3-ol
CID 63588493
4-[(3-hydroxypiperidin-3-yl)methyl]benzaldehyde
CID 105474116
1-[4-[(4-fluoropiperidin-4-yl)methyl]phenyl]ethanone
CID 105496458
1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone
CID 84726990
4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid
CID 105498925
3-benzylpyrrolidin-3-ol;hydrochloride
CID 122508012
3-[(4-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 83691018
(4-ethylphenyl)-(3-methylpiperidin-3-yl)methanone
CID 116569568
(3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 95851565
3-benzyl-N,N-dimethylpiperidine-3-carboxamide
CID 86184563
1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone
CID 175084066
3-[(3,4-difluorophenyl)methyl]pyrrolidin-3-ol
CID 82920758

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone (CID 105493019) is 1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone is CC(=O)c1ccc(CC2(O)CCCNC2)cc1.
What is the InChIKey of 1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone?
The InChIKey is BSAWOPOLAABJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(16)13-5-3-12(4-6-13)9-14(17)7-2-8-15-10-14/h3-6,15,17H,2,7-10H2,1H3.
What are the key properties of 1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone?
1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone has a molecular weight of 233.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 105493019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).