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

C23H28N2O2 — CID 118207511

IUPAC1-benzyl-3-[4-(4-hydroxyphenyl)piperidin-1-yl]piperidin-2-one
SMILESO=C1C(N2CCC(c3ccc(O)cc3)CC2)CCCN1Cc1ccccc1
InChIInChI=1S/C23H28N2O2/c26-21-10-8-19(9-11-21)20-12-15-24(16-13-20)22-7-4-14-25(23(22)27)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,20,22,26H,4,7,12-17H2
InChIKeyDJTTVXQTWUDOBA-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.76
Rot. Bonds4

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

1-benzyl-3-[4-(4-hydroxyphenyl)piperidin-1-yl]piperidin-2-one (PubChem CID 118207511) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-benzyl-3-[4-(4-hydroxyphenyl)piperidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[4-(4-hydroxyphenyl)piperidin-1-yl]piperidin-2-one
PubChem CID118207511
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-benzyl-3-[4-(4-hydroxyphenyl)piperidin-1-yl]piperidin-2-one
SMILESO=C1C(N2CCC(c3ccc(O)cc3)CC2)CCCN1Cc1ccccc1
InChIInChI=1S/C23H28N2O2/c26-21-10-8-19(9-11-21)20-12-15-24(16-13-20)22-7-4-14-25(23(22)27)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,20,22,26H,4,7,12-17H2
InChIKeyDJTTVXQTWUDOBA-UHFFFAOYSA-N
XLogP3.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-(4-hydroxyphenyl)piperidin-1-yl]piperidin-2-one?
The IUPAC name of 1-benzyl-3-[4-(4-hydroxyphenyl)piperidin-1-yl]piperidin-2-one (CID 118207511) is 1-benzyl-3-[4-(4-hydroxyphenyl)piperidin-1-yl]piperidin-2-one.
What is the SMILES notation for 1-benzyl-3-[4-(4-hydroxyphenyl)piperidin-1-yl]piperidin-2-one?
The canonical SMILES for 1-benzyl-3-[4-(4-hydroxyphenyl)piperidin-1-yl]piperidin-2-one is O=C1C(N2CCC(c3ccc(O)cc3)CC2)CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[4-(4-hydroxyphenyl)piperidin-1-yl]piperidin-2-one?
The InChIKey is DJTTVXQTWUDOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-21-10-8-19(9-11-21)20-12-15-24(16-13-20)22-7-4-14-25(23(22)27)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,20,22,26H,4,7,12-17H2.
What are the key properties of 1-benzyl-3-[4-(4-hydroxyphenyl)piperidin-1-yl]piperidin-2-one?
1-benzyl-3-[4-(4-hydroxyphenyl)piperidin-1-yl]piperidin-2-one has a molecular weight of 364.49 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-(4-hydroxyphenyl)piperidin-1-yl]piperidin-2-one is sourced from PubChem (CID 118207511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).