[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone

C14H19NO3 — CID 93033672

IUPAC[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC[C@H](O)C2)ccc1C
InChIInChI=1S/C14H19NO3/c1-10-5-6-11(8-13(10)18-2)14(17)15-7-3-4-12(16)9-15/h5-6,8,12,16H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKeyXSGHBZUSPWGEMM-LBPRGKRZSA-N
MW249.31 g/mol
LogP1.60
Rot. Bonds2

About [(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone

[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone (PubChem CID 93033672) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
PubChem CID93033672
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC[C@H](O)C2)ccc1C
InChIInChI=1S/C14H19NO3/c1-10-5-6-11(8-13(10)18-2)14(17)15-7-3-4-12(16)9-15/h5-6,8,12,16H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKeyXSGHBZUSPWGEMM-LBPRGKRZSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 63393366
(3-chloro-4-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224293
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone
CID 107224910
(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200431
(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162
(4-fluoro-3-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002014
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38391613
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 115746621
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261492

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of [(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone (CID 93033672) is [(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for [(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)N2CCC[C@H](O)C2)ccc1C.
What is the InChIKey of [(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is XSGHBZUSPWGEMM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-5-6-11(8-13(10)18-2)14(17)15-7-3-4-12(16)9-15/h5-6,8,12,16H,3-4,7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
[(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypiperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 93033672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).