2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one

C15H21NO3 — CID 60680419

IUPAC2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCC(O)CC2)cc1
InChIInChI=1S/C15H21NO3/c1-11(16-9-7-13(17)8-10-16)15(18)12-3-5-14(19-2)6-4-12/h3-6,11,13,17H,7-10H2,1-2H3
InChIKeyXJRSCRZZQISBTC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.72
Rot. Bonds4

About 2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one

2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one (PubChem CID 60680419) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
PubChem CID60680419
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCC(O)CC2)cc1
InChIInChI=1S/C15H21NO3/c1-11(16-9-7-13(17)8-10-16)15(18)12-3-5-14(19-2)6-4-12/h3-6,11,13,17H,7-10H2,1-2H3
InChIKeyXJRSCRZZQISBTC-UHFFFAOYSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62029201
2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 62024780
2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62931770
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43227288
2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62068455
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 115965576
2-(4,4-dimethylazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 65282810
1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
CID 102960681
2-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 63158465
2-(2,3-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62125367
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 107228031

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one (CID 60680419) is 2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)N2CCC(O)CC2)cc1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is XJRSCRZZQISBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(16-9-7-13(17)8-10-16)15(18)12-3-5-14(19-2)6-4-12/h3-6,11,13,17H,7-10H2,1-2H3.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one?
2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 263.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 60680419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).