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

C16H23NO3 — CID 79548686

IUPAC[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCCC2CC(C)O)c1
InChIInChI=1S/C16H23NO3/c1-12(18)10-14-7-3-4-9-17(14)16(19)13-6-5-8-15(11-13)20-2/h5-6,8,11-12,14,18H,3-4,7,9-10H2,1-2H3
InChIKeyOMDYSZVUDIMBPS-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.46
Rot. Bonds4

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

[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 79548686) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID79548686
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCCC2CC(C)O)c1
InChIInChI=1S/C16H23NO3/c1-12(18)10-14-7-3-4-9-17(14)16(19)13-6-5-8-15(11-13)20-2/h5-6,8,11-12,14,18H,3-4,7,9-10H2,1-2H3
InChIKeyOMDYSZVUDIMBPS-UHFFFAOYSA-N
XLogP2.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 79549123
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea
CID 95306637
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 63767479
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
(3-fluoro-4-methoxyphenyl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546369
[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 94800092
(3,5-dihydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107704806
(4-fluoro-3-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79539952
3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 136542268
[2-(bromomethyl)piperidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 80658459

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone (CID 79548686) is [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCCCC2CC(C)O)c1.
What is the InChIKey of [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is OMDYSZVUDIMBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(18)10-14-7-3-4-9-17(14)16(19)13-6-5-8-15(11-13)20-2/h5-6,8,11-12,14,18H,3-4,7,9-10H2,1-2H3.
What are the key properties of [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone?
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 277.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 79548686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).