(4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone

C18H20N2O — CID 749125

IUPAC(4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O/c1-15-7-9-16(10-8-15)18(21)20-13-11-19(12-14-20)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKeyMPTWQLUMMRYFPO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.96
Rot. Bonds2

About (4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone

(4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 749125) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID749125
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O/c1-15-7-9-16(10-8-15)18(21)20-13-11-19(12-14-20)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3
InChIKeyMPTWQLUMMRYFPO-UHFFFAOYSA-N
XLogP2.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone (CID 749125) is (4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone is Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is MPTWQLUMMRYFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-15-7-9-16(10-8-15)18(21)20-13-11-19(12-14-20)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3.
What are the key properties of (4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone?
(4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 749125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).