(3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone

C16H24N2O — CID 82246035

IUPAC(3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCNCC2CC(C)C)c1
InChIInChI=1S/C16H24N2O/c1-12(2)9-15-11-17-7-8-18(15)16(19)14-6-4-5-13(3)10-14/h4-6,10,12,15,17H,7-9,11H2,1-3H3
InChIKeyHORJBGNTDMTJEB-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.46
Rot. Bonds3

About (3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone

(3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 82246035) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID82246035
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCNCC2CC(C)C)c1
InChIInChI=1S/C16H24N2O/c1-12(2)9-15-11-17-7-8-18(15)16(19)14-6-4-5-13(3)10-14/h4-6,10,12,15,17H,7-9,11H2,1-3H3
InChIKeyHORJBGNTDMTJEB-UHFFFAOYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 113415445
3-[(2S)-2-(2-methylpropyl)piperazin-1-yl]benzoic acid
CID 45072796
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 79549123
2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone
CID 82250186
1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549536
(3-methylphenyl)-(2-phenyl-1,4-diazepan-1-yl)methanone
CID 82251312
(2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride
CID 119471460
(3-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919749
(2-methoxyphenyl)-[2-(2-methylpropyl)-1,4-diazepan-1-yl]methanone
CID 82250775
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
(3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone
CID 82245986
[2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 55187614

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone (CID 82246035) is (3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone is Cc1cccc(C(=O)N2CCNCC2CC(C)C)c1.
What is the InChIKey of (3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is HORJBGNTDMTJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)9-15-11-17-7-8-18(15)16(19)14-6-4-5-13(3)10-14/h4-6,10,12,15,17H,7-9,11H2,1-3H3.
What are the key properties of (3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone?
(3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 260.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 82246035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).