[2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride

C15H19Cl3N2O — CID 119576628

IUPAC[2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)C2CC2c2cccc(Cl)c2Cl)CCN1.Cl
InChIInChI=1S/C15H18Cl2N2O.ClH/c1-9-8-19(6-5-18-9)15(20)12-7-11(12)10-3-2-4-13(16)14(10)17;/h2-4,9,11-12,18H,5-8H2,1H3;1H
InChIKeyOMNDATWZHQZKEW-UHFFFAOYSA-N
MW349.69 g/mol
LogP3.34
Rot. Bonds2

About [2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride

[2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119576628) has the molecular formula C15H19Cl3N2O and a molecular weight of 349.69 g/mol. Its IUPAC name is [2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119576628
Molecular FormulaC15H19Cl3N2O
Molecular Weight349.69 g/mol
Exact Mass348.06
IUPAC Name[2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)C2CC2c2cccc(Cl)c2Cl)CCN1.Cl
InChIInChI=1S/C15H18Cl2N2O.ClH/c1-9-8-19(6-5-18-9)15(20)12-7-11(12)10-3-2-4-13(16)14(10)17;/h2-4,9,11-12,18H,5-8H2,1H3;1H
InChIKeyOMNDATWZHQZKEW-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.69
LogP ≤ 53.34
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
1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 95620484
[(1R,2R)-2-(2,3-dichlorophenyl)cyclopropyl]-(1,4-thiazepan-4-yl)methanone
CID 97315628
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanone
CID 124691738
[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 124695333
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2,3-dichlorophenyl)cyclopropyl]methanone;hydrochloride
CID 120814867
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557
[(3R)-3-methylpiperazin-1-yl]-[(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124620612
2-(2,3-dichlorophenyl)-N-(2-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120599119
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(2,3-dichlorophenyl)cyclopropyl]methanone;hydrochloride
CID 120746802
2-[(2R)-4-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 124704951
(2,6-dichlorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426391

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119576628) is [2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is CC1CN(C(=O)C2CC2c2cccc(Cl)c2Cl)CCN1.Cl.
What is the InChIKey of [2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is OMNDATWZHQZKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O.ClH/c1-9-8-19(6-5-18-9)15(20)12-7-11(12)10-3-2-4-13(16)14(10)17;/h2-4,9,11-12,18H,5-8H2,1H3;1H.
What are the key properties of [2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
[2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 349.69 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichlorophenyl)cyclopropyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119576628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).