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

C13H18N2O — CID 116919749

IUPAC(3-methylphenyl)-(1-methylpiperazin-2-yl)methanone
SMILESCc1cccc(C(=O)C2CNCCN2C)c1
InChIInChI=1S/C13H18N2O/c1-10-4-3-5-11(8-10)13(16)12-9-14-6-7-15(12)2/h3-5,8,12,14H,6-7,9H2,1-2H3
InChIKeyCMRSCRIYRZPRMY-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.08
Rot. Bonds2

About (3-methylphenyl)-(1-methylpiperazin-2-yl)methanone

(3-methylphenyl)-(1-methylpiperazin-2-yl)methanone (PubChem CID 116919749) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3-methylphenyl)-(1-methylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(1-methylpiperazin-2-yl)methanone
PubChem CID116919749
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3-methylphenyl)-(1-methylpiperazin-2-yl)methanone
SMILESCc1cccc(C(=O)C2CNCCN2C)c1
InChIInChI=1S/C13H18N2O/c1-10-4-3-5-11(8-10)13(16)12-9-14-6-7-15(12)2/h3-5,8,12,14H,6-7,9H2,1-2H3
InChIKeyCMRSCRIYRZPRMY-UHFFFAOYSA-N
XLogP1.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919681
(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919686
1,3-benzoxazol-6-yl-(1-methylpiperazin-2-yl)methanone
CID 116919736
(4-ethylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919674
3-methylbenzoic acid;1-methylpiperazine
CID 174580798
N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177796
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
(2-methoxyphenyl)-(1-methylpiperazin-2-yl)methanone;hydrochloride
CID 174377546
(2-methylcyclopropyl)-(3-methylphenyl)methanone
CID 65420816
(3-methylphenyl)-[2-(2-methylpropyl)piperazin-1-yl]methanone
CID 82246035
piperazin-1-yl 3-methylbenzoate
CID 175416876
3-methyl-N-[2-methyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride
CID 120959638

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(1-methylpiperazin-2-yl)methanone?
The IUPAC name of (3-methylphenyl)-(1-methylpiperazin-2-yl)methanone (CID 116919749) is (3-methylphenyl)-(1-methylpiperazin-2-yl)methanone.
What is the SMILES notation for (3-methylphenyl)-(1-methylpiperazin-2-yl)methanone?
The canonical SMILES for (3-methylphenyl)-(1-methylpiperazin-2-yl)methanone is Cc1cccc(C(=O)C2CNCCN2C)c1.
What is the InChIKey of (3-methylphenyl)-(1-methylpiperazin-2-yl)methanone?
The InChIKey is CMRSCRIYRZPRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-4-3-5-11(8-10)13(16)12-9-14-6-7-15(12)2/h3-5,8,12,14H,6-7,9H2,1-2H3.
What are the key properties of (3-methylphenyl)-(1-methylpiperazin-2-yl)methanone?
(3-methylphenyl)-(1-methylpiperazin-2-yl)methanone has a molecular weight of 218.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(1-methylpiperazin-2-yl)methanone is sourced from PubChem (CID 116919749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).