(1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone

C19H21NO — CID 518343

IUPAC(1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone
SMILESCN1CCC(c2ccccc2)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H21NO/c1-20-13-12-17(15-8-4-2-5-9-15)18(14-20)19(21)16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3
InChIKeyXYCHMYKPKLTNDM-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.60
Rot. Bonds3

About (1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone

(1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone (PubChem CID 518343) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone
PubChem CID518343
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone
SMILESCN1CCC(c2ccccc2)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H21NO/c1-20-13-12-17(15-8-4-2-5-9-15)18(14-20)19(21)16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3
InChIKeyXYCHMYKPKLTNDM-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone?
The IUPAC name of (1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone (CID 518343) is (1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone.
What is the SMILES notation for (1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone?
The canonical SMILES for (1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone is CN1CCC(c2ccccc2)C(C(=O)c2ccccc2)C1.
What is the InChIKey of (1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone?
The InChIKey is XYCHMYKPKLTNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-20-13-12-17(15-8-4-2-5-9-15)18(14-20)19(21)16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3.
What are the key properties of (1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone?
(1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone has a molecular weight of 279.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-phenylpiperidin-3-yl)-phenylmethanone is sourced from PubChem (CID 518343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).