[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone

C16H23NO2 — CID 79549123

IUPAC[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCCCC2CC(C)O)c1
InChIInChI=1S/C16H23NO2/c1-12-6-5-7-14(10-12)16(19)17-9-4-3-8-15(17)11-13(2)18/h5-7,10,13,15,18H,3-4,8-9,11H2,1-2H3
InChIKeyZBFOIGALYZAKRA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.76
Rot. Bonds3

About [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone

[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone (PubChem CID 79549123) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
PubChem CID79549123
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCCCC2CC(C)O)c1
InChIInChI=1S/C16H23NO2/c1-12-6-5-7-14(10-12)16(19)17-9-4-3-8-15(17)11-13(2)18/h5-7,10,13,15,18H,3-4,8-9,11H2,1-2H3
InChIKeyZBFOIGALYZAKRA-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686
1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549536
[2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 55187614
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 79548752
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 79540297
(4-fluoro-3-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79539952
[(2R)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 26819143
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984382
(3,5-dihydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107704806
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone (CID 79549123) is [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCCCC2CC(C)O)c1.
What is the InChIKey of [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is ZBFOIGALYZAKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-6-5-7-14(10-12)16(19)17-9-4-3-8-15(17)11-13(2)18/h5-7,10,13,15,18H,3-4,8-9,11H2,1-2H3.
What are the key properties of [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone?
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 261.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 79549123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).