(4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone

C20H23NO — CID 1378917

IUPAC(4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H23NO/c1-16-6-5-9-19(14-16)20(22)21-12-10-18(11-13-21)15-17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3
InChIKeyPOFAJEKTXKRKHK-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.09
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone

(4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone (PubChem CID 1378917) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone
PubChem CID1378917
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H23NO/c1-16-6-5-9-19(14-16)20(22)21-12-10-18(11-13-21)15-17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3
InChIKeyPOFAJEKTXKRKHK-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone (CID 1378917) is (4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone?
The InChIKey is POFAJEKTXKRKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-16-6-5-9-19(14-16)20(22)21-12-10-18(11-13-21)15-17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone?
(4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone has a molecular weight of 293.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 1378917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).