2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one

C17H25NO3 — CID 107228031

IUPAC2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCCC(CCO)C2)cc1
InChIInChI=1S/C17H25NO3/c1-13(18-10-3-4-14(12-18)9-11-19)17(20)15-5-7-16(21-2)8-6-15/h5-8,13-14,19H,3-4,9-12H2,1-2H3
InChIKeyKYMJHQUANDZYHV-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.36
Rot. Bonds6

About 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one

2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one (PubChem CID 107228031) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
PubChem CID107228031
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCCC(CCO)C2)cc1
InChIInChI=1S/C17H25NO3/c1-13(18-10-3-4-14(12-18)9-11-19)17(20)15-5-7-16(21-2)8-6-15/h5-8,13-14,19H,3-4,9-12H2,1-2H3
InChIKeyKYMJHQUANDZYHV-UHFFFAOYSA-N
XLogP2.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228009
1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 62029422
1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
CID 102960681
2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62068455
2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 62024780
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106587711
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
2-(4-aminopiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62029201
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 115965576
(2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide
CID 98761137
2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 60680419
2-(4,4-dimethylazepan-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 65282810

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one (CID 107228031) is 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)N2CCCC(CCO)C2)cc1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is KYMJHQUANDZYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(18-10-3-4-14(12-18)9-11-19)17(20)15-5-7-16(21-2)8-6-15/h5-8,13-14,19H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one?
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 107228031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).