(3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone

C16H24N2O — CID 82245986

IUPAC(3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CC(C(C)C)NCC2C)c1
InChIInChI=1S/C16H24N2O/c1-11(2)15-10-18(13(4)9-17-15)16(19)14-7-5-6-12(3)8-14/h5-8,11,13,15,17H,9-10H2,1-4H3
InChIKeyWFHCCGLKTZHHES-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.45
Rot. Bonds2

About (3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone

(3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 82245986) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone
PubChem CID82245986
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1cccc(C(=O)N2CC(C(C)C)NCC2C)c1
InChIInChI=1S/C16H24N2O/c1-11(2)15-10-18(13(4)9-17-15)16(19)14-7-5-6-12(3)8-14/h5-8,11,13,15,17H,9-10H2,1-4H3
InChIKeyWFHCCGLKTZHHES-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone (CID 82245986) is (3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone is Cc1cccc(C(=O)N2CC(C(C)C)NCC2C)c1.
What is the InChIKey of (3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is WFHCCGLKTZHHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)15-10-18(13(4)9-17-15)16(19)14-7-5-6-12(3)8-14/h5-8,11,13,15,17H,9-10H2,1-4H3.
What are the key properties of (3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone?
(3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 260.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 82245986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).