3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]piperidin-2-one

C24H30N2O2 — CID 118207401

IUPAC3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]piperidin-2-one
SMILESCc1ccc(CN2CCCC(N3CCC(c4ccc(O)cc4)CC3)C2=O)cc1
InChIInChI=1S/C24H30N2O2/c1-18-4-6-19(7-5-18)17-26-14-2-3-23(24(26)28)25-15-12-21(13-16-25)20-8-10-22(27)11-9-20/h4-11,21,23,27H,2-3,12-17H2,1H3
InChIKeyGVYFNDGMWJKNNJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.07
Rot. Bonds4

About 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]piperidin-2-one

3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]piperidin-2-one (PubChem CID 118207401) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]piperidin-2-one
PubChem CID118207401
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]piperidin-2-one
SMILESCc1ccc(CN2CCCC(N3CCC(c4ccc(O)cc4)CC3)C2=O)cc1
InChIInChI=1S/C24H30N2O2/c1-18-4-6-19(7-5-18)17-26-14-2-3-23(24(26)28)25-15-12-21(13-16-25)20-8-10-22(27)11-9-20/h4-11,21,23,27H,2-3,12-17H2,1H3
InChIKeyGVYFNDGMWJKNNJ-UHFFFAOYSA-N
XLogP4.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]piperidin-2-one?
The IUPAC name of 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]piperidin-2-one (CID 118207401) is 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]piperidin-2-one.
What is the SMILES notation for 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]piperidin-2-one?
The canonical SMILES for 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]piperidin-2-one is Cc1ccc(CN2CCCC(N3CCC(c4ccc(O)cc4)CC3)C2=O)cc1.
What is the InChIKey of 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]piperidin-2-one?
The InChIKey is GVYFNDGMWJKNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18-4-6-19(7-5-18)17-26-14-2-3-23(24(26)28)25-15-12-21(13-16-25)20-8-10-22(27)11-9-20/h4-11,21,23,27H,2-3,12-17H2,1H3.
What are the key properties of 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]piperidin-2-one?
3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]piperidin-2-one has a molecular weight of 378.52 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxyphenyl)piperidin-1-yl]-1-[(4-methylphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 118207401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).