[2-(4-methylpiperidin-1-yl)phenyl]-phenylmethanone

C19H21NO — CID 13105508

IUPAC[2-(4-methylpiperidin-1-yl)phenyl]-phenylmethanone
SMILESCC1CCN(c2ccccc2C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21NO/c1-15-11-13-20(14-12-15)18-10-6-5-9-17(18)19(21)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeyMZKOKVYPKIUARL-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.15
Rot. Bonds3

About [2-(4-methylpiperidin-1-yl)phenyl]-phenylmethanone

[2-(4-methylpiperidin-1-yl)phenyl]-phenylmethanone (PubChem CID 13105508) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)phenyl]-phenylmethanone
PubChem CID13105508
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name[2-(4-methylpiperidin-1-yl)phenyl]-phenylmethanone
SMILESCC1CCN(c2ccccc2C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21NO/c1-15-11-13-20(14-12-15)18-10-6-5-9-17(18)19(21)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKeyMZKOKVYPKIUARL-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)phenyl]-phenylmethanone?
The IUPAC name of [2-(4-methylpiperidin-1-yl)phenyl]-phenylmethanone (CID 13105508) is [2-(4-methylpiperidin-1-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)phenyl]-phenylmethanone is CC1CCN(c2ccccc2C(=O)c2ccccc2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)phenyl]-phenylmethanone?
The InChIKey is MZKOKVYPKIUARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-15-11-13-20(14-12-15)18-10-6-5-9-17(18)19(21)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)phenyl]-phenylmethanone?
[2-(4-methylpiperidin-1-yl)phenyl]-phenylmethanone has a molecular weight of 279.38 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 13105508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).