(4-benzyl-3-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone

C25H26N2O2 — CID 171347475

IUPAC(4-benzyl-3-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone
SMILESCc1ccc(-c2ccncc2)c(C(=O)N2CCC(Cc3ccccc3)C(O)C2)c1
InChIInChI=1S/C25H26N2O2/c1-18-7-8-22(20-9-12-26-13-10-20)23(15-18)25(29)27-14-11-21(24(28)17-27)16-19-5-3-2-4-6-19/h2-10,12-13,15,21,24,28H,11,14,16-17H2,1H3
InChIKeyOOCBPPHXWOWQET-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.12
Rot. Bonds4

About (4-benzyl-3-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone

(4-benzyl-3-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone (PubChem CID 171347475) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (4-benzyl-3-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(4-benzyl-3-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone
PubChem CID171347475
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name(4-benzyl-3-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone
SMILESCc1ccc(-c2ccncc2)c(C(=O)N2CCC(Cc3ccccc3)C(O)C2)c1
InChIInChI=1S/C25H26N2O2/c1-18-7-8-22(20-9-12-26-13-10-20)23(15-18)25(29)27-14-11-21(24(28)17-27)16-19-5-3-2-4-6-19/h2-10,12-13,15,21,24,28H,11,14,16-17H2,1H3
InChIKeyOOCBPPHXWOWQET-UHFFFAOYSA-N
XLogP4.12
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzyl-3-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone?
The IUPAC name of (4-benzyl-3-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone (CID 171347475) is (4-benzyl-3-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for (4-benzyl-3-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone?
The canonical SMILES for (4-benzyl-3-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone is Cc1ccc(-c2ccncc2)c(C(=O)N2CCC(Cc3ccccc3)C(O)C2)c1.
What is the InChIKey of (4-benzyl-3-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone?
The InChIKey is OOCBPPHXWOWQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18-7-8-22(20-9-12-26-13-10-20)23(15-18)25(29)27-14-11-21(24(28)17-27)16-19-5-3-2-4-6-19/h2-10,12-13,15,21,24,28H,11,14,16-17H2,1H3.
What are the key properties of (4-benzyl-3-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone?
(4-benzyl-3-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone has a molecular weight of 386.50 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-3-hydroxypiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 171347475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).