[4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone;dihydrochloride

C12H25Cl2N3O — CID 170913010

IUPAC[4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone;dihydrochloride
SMILESCl.Cl.NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C12H23N3O.2ClH/c13-5-6-14-7-9-15(10-8-14)12(16)11-3-1-2-4-11;;/h11H,1-10,13H2;2*1H
InChIKeyLELUNPBSZOVZKR-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.12
Rot. Bonds3

About [4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone;dihydrochloride

[4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone;dihydrochloride (PubChem CID 170913010) has the molecular formula C12H25Cl2N3O and a molecular weight of 298.26 g/mol. Its IUPAC name is [4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone;dihydrochloride
PubChem CID170913010
Molecular FormulaC12H25Cl2N3O
Molecular Weight298.26 g/mol
Exact Mass297.14
IUPAC Name[4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone;dihydrochloride
SMILESCl.Cl.NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C12H23N3O.2ClH/c13-5-6-14-7-9-15(10-8-14)12(16)11-3-1-2-4-11;;/h11H,1-10,13H2;2*1H
InChIKeyLELUNPBSZOVZKR-UHFFFAOYSA-N
XLogP1.12
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone;dihydrochloride?
The IUPAC name of [4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone;dihydrochloride (CID 170913010) is [4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone;dihydrochloride.
What is the SMILES notation for [4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone;dihydrochloride?
The canonical SMILES for [4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone;dihydrochloride is Cl.Cl.NCCN1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of [4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone;dihydrochloride?
The InChIKey is LELUNPBSZOVZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.2ClH/c13-5-6-14-7-9-15(10-8-14)12(16)11-3-1-2-4-11;;/h11H,1-10,13H2;2*1H.
What are the key properties of [4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone;dihydrochloride?
[4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone;dihydrochloride has a molecular weight of 298.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)piperazin-1-yl]-cyclopentylmethanone;dihydrochloride is sourced from PubChem (CID 170913010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).