(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone

C13H18N2O — CID 904148

IUPAC(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H18N2O/c1-11-5-3-4-6-12(11)13(16)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3
InChIKeyOVUHXNVSFDPYNP-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.38
Rot. Bonds1

About (2-methylphenyl)-(4-methylpiperazin-1-yl)methanone

(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 904148) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (2-methylphenyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID904148
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccccc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C13H18N2O/c1-11-5-3-4-6-12(11)13(16)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3
InChIKeyOVUHXNVSFDPYNP-UHFFFAOYSA-N
XLogP1.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
(2-iodo-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 103615023
(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802146
[4-(2-bromoethyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 80660248
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
[4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 82090858
(2-hydroxy-3-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28775446
(2-fluoro-3-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80717951
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365357
1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one
CID 82132828
(3-methyl-2-nitrophenyl)-(4-methylpiperazin-1-yl)methanone
CID 4663299

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylphenyl)-(4-methylpiperazin-1-yl)methanone (CID 904148) is (2-methylphenyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylphenyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylphenyl)-(4-methylpiperazin-1-yl)methanone is Cc1ccccc1C(=O)N1CCN(C)CC1.
What is the InChIKey of (2-methylphenyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is OVUHXNVSFDPYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11-5-3-4-6-12(11)13(16)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3.
What are the key properties of (2-methylphenyl)-(4-methylpiperazin-1-yl)methanone?
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 218.30 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 904148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).