[3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone

C13H17NO2 — CID 3273574

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C13H17NO2/c15-10-11-5-4-8-14(9-11)13(16)12-6-2-1-3-7-12/h1-3,6-7,11,15H,4-5,8-10H2
InChIKeyRBCXTGBKJQBEKI-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.53
Rot. Bonds2

About [3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone

[3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone (PubChem CID 3273574) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone
PubChem CID3273574
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(CO)C1
InChIInChI=1S/C13H17NO2/c15-10-11-5-4-8-14(9-11)13(16)12-6-2-1-3-7-12/h1-3,6-7,11,15H,4-5,8-10H2
InChIKeyRBCXTGBKJQBEKI-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
Benzoylpiperidine
CID 69892
N-Benzoylmorpholine
CID 15114
VU0092273
CID 16000100
N-Benzoyl-4-piperidone
CID 90583
(4-Benzoyl-piperazin-1-yl)-cyclopropyl-methanone
CID 776691
N,N-bis(2-hydroxypropyl)benzamide
CID 11470407
1-Benzoylpiperidine-4-carboxylic acid
CID 78935
Ethyl 1-benzoyl-3-methylpiperidine-3-carboxylate
CID 18760283
N-Toluoyl piperidine
CID 83672
1-(4-Fluorobenzoyl)piperidine-3-carboxylic acid
CID 4713643
1-Benzoylpiperidine-3-carboxylic acid
CID 3136474

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone (CID 3273574) is [3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone?
The InChIKey is RBCXTGBKJQBEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-10-11-5-4-8-14(9-11)13(16)12-6-2-1-3-7-12/h1-3,6-7,11,15H,4-5,8-10H2.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone?
[3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone has a molecular weight of 219.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 3273574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).