(2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone

C17H24N2O — CID 120572372

IUPAC(2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone
SMILESCc1ccccc1C1CC1C(=O)N1CCNC(C)C1C
InChIInChI=1S/C17H24N2O/c1-11-6-4-5-7-14(11)15-10-16(15)17(20)19-9-8-18-12(2)13(19)3/h4-7,12-13,15-16,18H,8-10H2,1-3H3
InChIKeyBLMYOIPEQFUHNC-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.31
Rot. Bonds2

About (2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone

(2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone (PubChem CID 120572372) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone
PubChem CID120572372
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone
SMILESCc1ccccc1C1CC1C(=O)N1CCNC(C)C1C
InChIInChI=1S/C17H24N2O/c1-11-6-4-5-7-14(11)15-10-16(15)17(20)19-9-8-18-12(2)13(19)3/h4-7,12-13,15-16,18H,8-10H2,1-3H3
InChIKeyBLMYOIPEQFUHNC-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R)-2-(2-methylphenyl)cyclopropyl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124697762
[2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572434
[2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570451
[2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571881
(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 120571015
1,4-diazepan-1-yl-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119417577
(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 120571014
[(2R)-2-(aminomethyl)piperidin-1-yl]-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]methanone
CID 124573529
4-[2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 119216599
(3S)-4-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125133187
(2,3-dimethylpiperazin-1-yl)-(3-iodo-4-methylphenyl)methanone
CID 120570666
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxamide
CID 119137675

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone (CID 120572372) is (2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone is Cc1ccccc1C1CC1C(=O)N1CCNC(C)C1C.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone?
The InChIKey is BLMYOIPEQFUHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11-6-4-5-7-14(11)15-10-16(15)17(20)19-9-8-18-12(2)13(19)3/h4-7,12-13,15-16,18H,8-10H2,1-3H3.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone?
(2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone has a molecular weight of 272.39 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone is sourced from PubChem (CID 120572372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).