(2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride

C17H27Cl2N3O — CID 119831874

IUPAC(2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCc1ccccc1N1CCN(C(=O)C2CCCC2N)CC1.Cl.Cl
InChIInChI=1S/C17H25N3O.2ClH/c1-13-5-2-3-8-16(13)19-9-11-20(12-10-19)17(21)14-6-4-7-15(14)18;;/h2-3,5,8,14-15H,4,6-7,9-12,18H2,1H3;2*1H
InChIKeyGMORCSWJSUGWKA-UHFFFAOYSA-N
MW360.33 g/mol
LogP2.61
Rot. Bonds2

About (2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride

(2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119831874) has the molecular formula C17H27Cl2N3O and a molecular weight of 360.33 g/mol. Its IUPAC name is (2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119831874
Molecular FormulaC17H27Cl2N3O
Molecular Weight360.33 g/mol
Exact Mass359.15
IUPAC Name(2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCc1ccccc1N1CCN(C(=O)C2CCCC2N)CC1.Cl.Cl
InChIInChI=1S/C17H25N3O.2ClH/c1-13-5-2-3-8-16(13)19-9-11-20(12-10-19)17(21)14-6-4-7-15(14)18;;/h2-3,5,8,14-15H,4,6-7,9-12,18H2,1H3;2*1H
InChIKeyGMORCSWJSUGWKA-UHFFFAOYSA-N
XLogP2.61
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S)-2-aminocyclopentyl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 124510897
(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 64823960
(4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 66238290
(2-aminocyclohexyl)-(4-phenylpiperazin-1-yl)methanone
CID 64818303
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399085
1-[4-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9152764
trans-(1S,2S)-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 753081
[4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 63716005
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
[4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone
CID 42680025
[2-(2-chlorophenyl)cyclopropyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112806323

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride (CID 119831874) is (2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride is Cc1ccccc1N1CCN(C(=O)C2CCCC2N)CC1.Cl.Cl.
What is the InChIKey of (2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is GMORCSWJSUGWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.2ClH/c1-13-5-2-3-8-16(13)19-9-11-20(12-10-19)17(21)14-6-4-7-15(14)18;;/h2-3,5,8,14-15H,4,6-7,9-12,18H2,1H3;2*1H.
What are the key properties of (2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride?
(2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 360.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119831874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).