[(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone

C21H25NO3 — CID 126434367

IUPAC[(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC[C@H](CO)C3)cc2)c(C)c1
InChIInChI=1S/C21H25NO3/c1-15-12-19(25-2)9-10-20(15)17-5-7-18(8-6-17)21(24)22-11-3-4-16(13-22)14-23/h5-10,12,16,23H,3-4,11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyCHJHPOSKPBOMPY-INIZCTEOSA-N
MW339.44 g/mol
LogP3.52
Rot. Bonds4

About [(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone

[(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone (PubChem CID 126434367) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is [(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone
PubChem CID126434367
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name[(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCC[C@H](CO)C3)cc2)c(C)c1
InChIInChI=1S/C21H25NO3/c1-15-12-19(25-2)9-10-20(15)17-5-7-18(8-6-17)21(24)22-11-3-4-16(13-22)14-23/h5-10,12,16,23H,3-4,11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyCHJHPOSKPBOMPY-INIZCTEOSA-N
XLogP3.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone with MolForge

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Related Compounds

[4-(4-methoxy-2-methylphenyl)phenyl]-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 164640567
(2,5-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422311
(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403188
(1R,5S)-3-[4-(4-methoxy-2-methylphenyl)benzoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 119070714
(3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589508
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42883607
N-(4-methoxy-2-methylphenyl)-3-[1-(4-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 56709077
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 3298248
N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 53150228
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone?
The IUPAC name of [(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone (CID 126434367) is [(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone.
What is the SMILES notation for [(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone?
The canonical SMILES for [(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone is COc1ccc(-c2ccc(C(=O)N3CCC[C@H](CO)C3)cc2)c(C)c1.
What is the InChIKey of [(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone?
The InChIKey is CHJHPOSKPBOMPY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25NO3/c1-15-12-19(25-2)9-10-20(15)17-5-7-18(8-6-17)21(24)22-11-3-4-16(13-22)14-23/h5-10,12,16,23H,3-4,11,13-14H2,1-2H3/t16-/m0/s1.
What are the key properties of [(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone?
[(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(hydroxymethyl)piperidin-1-yl]-[4-(4-methoxy-2-methylphenyl)phenyl]methanone is sourced from PubChem (CID 126434367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).