[2-(hydroxymethyl)piperidin-1-yl]-(2-methylphenyl)methanone

C14H19NO2 — CID 2843227

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCCCC1CO
InChIInChI=1S/C14H19NO2/c1-11-6-2-3-8-13(11)14(17)15-9-5-4-7-12(15)10-16/h2-3,6,8,12,16H,4-5,7,9-10H2,1H3
InChIKeySXOHZCISRVDPKZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.98
Rot. Bonds2

About [2-(hydroxymethyl)piperidin-1-yl]-(2-methylphenyl)methanone

[2-(hydroxymethyl)piperidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 2843227) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-(2-methylphenyl)methanone
PubChem CID2843227
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCCCC1CO
InChIInChI=1S/C14H19NO2/c1-11-6-2-3-8-13(11)14(17)15-9-5-4-7-12(15)10-16/h2-3,6,8,12,16H,4-5,7,9-10H2,1H3
InChIKeySXOHZCISRVDPKZ-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Benzoyl-L-phenylalaninol
CID 852848
1-Benzoylpiperidine-2-carboxylic acid
CID 358299
2-(2-Hydroxy-1-phenylethyl)-1-isoindolinone
CID 3814650
N-(1-Hydroxy-3-Phenylpropan-2-Yl)Benzamide
CID 100005
N,N-bis(2-hydroxypropyl)benzamide
CID 11470407
4-Piperidinemethanol, 1-benzoyl-
CID 10262870
N-tert-butyl-1-[4-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-butyl]piperidine-2-carboxamide
CID 461003
4-[2-(2-Phenylethyl)benzoyl]morpholine
CID 1255389
[1-(4-Fluorobenzoyl)-3-(2-methylbenzyl)piperidin-3-yl]methanol
CID 16188882
N,N-Diethyl-4-{[4-(2-hydroxy-ethyl)-piperazin-1-yl]-phenyl-methyl}-benzamide
CID 44276042
2-[(2R)-1-hydroxybutan-2-yl]-3H-isoindol-1-one
CID 57328040
1-N,2-N-bis[(2R)-1-hydroxybutan-2-yl]benzene-1,2-dicarboxamide
CID 57328060

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(2-methylphenyl)methanone (CID 2843227) is [2-(hydroxymethyl)piperidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is SXOHZCISRVDPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-6-2-3-8-13(11)14(17)15-9-5-4-7-12(15)10-16/h2-3,6,8,12,16H,4-5,7,9-10H2,1H3.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-(2-methylphenyl)methanone?
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 2843227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).