(4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone

C19H21NO — CID 116561849

IUPAC(4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone
SMILESCc1ccc(C(=O)C2(c3ccccc3)CCNCC2)cc1
InChIInChI=1S/C19H21NO/c1-15-7-9-16(10-8-15)18(21)19(11-13-20-14-12-19)17-5-3-2-4-6-17/h2-10,20H,11-14H2,1H3
InChIKeyLXNIEMWMZHAYJW-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.50
Rot. Bonds3

About (4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone

(4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone (PubChem CID 116561849) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone
PubChem CID116561849
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone
SMILESCc1ccc(C(=O)C2(c3ccccc3)CCNCC2)cc1
InChIInChI=1S/C19H21NO/c1-15-7-9-16(10-8-15)18(21)19(11-13-20-14-12-19)17-5-3-2-4-6-17/h2-10,20H,11-14H2,1H3
InChIKeyLXNIEMWMZHAYJW-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone?
The IUPAC name of (4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone (CID 116561849) is (4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone is Cc1ccc(C(=O)C2(c3ccccc3)CCNCC2)cc1.
What is the InChIKey of (4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone?
The InChIKey is LXNIEMWMZHAYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-15-7-9-16(10-8-15)18(21)19(11-13-20-14-12-19)17-5-3-2-4-6-17/h2-10,20H,11-14H2,1H3.
What are the key properties of (4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone?
(4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone has a molecular weight of 279.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone is sourced from PubChem (CID 116561849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).