1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone

C22H27NO3 — CID 23383812

IUPAC1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
SMILESCOc1cccc(C(O)(c2ccc(C(C)=O)cc2)C2CCN(C)CC2)c1
InChIInChI=1S/C22H27NO3/c1-16(24)17-7-9-18(10-8-17)22(25,19-11-13-23(2)14-12-19)20-5-4-6-21(15-20)26-3/h4-10,15,19,25H,11-14H2,1-3H3
InChIKeyOMLZFXUBBKZMRQ-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.48
Rot. Bonds5

About 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone

1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone (PubChem CID 23383812) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
PubChem CID23383812
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone
SMILESCOc1cccc(C(O)(c2ccc(C(C)=O)cc2)C2CCN(C)CC2)c1
InChIInChI=1S/C22H27NO3/c1-16(24)17-7-9-18(10-8-17)22(25,19-11-13-23(2)14-12-19)20-5-4-6-21(15-20)26-3/h4-10,15,19,25H,11-14H2,1-3H3
InChIKeyOMLZFXUBBKZMRQ-UHFFFAOYSA-N
XLogP3.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone (CID 23383812) is 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone is COc1cccc(C(O)(c2ccc(C(C)=O)cc2)C2CCN(C)CC2)c1.
What is the InChIKey of 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone?
The InChIKey is OMLZFXUBBKZMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-16(24)17-7-9-18(10-8-17)22(25,19-11-13-23(2)14-12-19)20-5-4-6-21(15-20)26-3/h4-10,15,19,25H,11-14H2,1-3H3.
What are the key properties of 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone?
1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone has a molecular weight of 353.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy-(3-methoxyphenyl)-(1-methylpiperidin-4-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 23383812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).