(1-aminocyclopentyl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride

C11H23Cl2N3O — CID 18698213

IUPAC(1-aminocyclopentyl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESCN1CCN(C(=O)C2(N)CCCC2)CC1.Cl.Cl
InChIInChI=1S/C11H21N3O.2ClH/c1-13-6-8-14(9-7-13)10(15)11(12)4-2-3-5-11;;/h2-9,12H2,1H3;2*1H
InChIKeyMYVWJCDGRUONGO-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.88
Rot. Bonds1

About (1-aminocyclopentyl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride

(1-aminocyclopentyl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 18698213) has the molecular formula C11H23Cl2N3O and a molecular weight of 284.23 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID18698213
Molecular FormulaC11H23Cl2N3O
Molecular Weight284.23 g/mol
Exact Mass283.12
IUPAC Name(1-aminocyclopentyl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESCN1CCN(C(=O)C2(N)CCCC2)CC1.Cl.Cl
InChIInChI=1S/C11H21N3O.2ClH/c1-13-6-8-14(9-7-13)10(15)11(12)4-2-3-5-11;;/h2-9,12H2,1H3;2*1H
InChIKeyMYVWJCDGRUONGO-UHFFFAOYSA-N
XLogP0.88
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of (1-aminocyclopentyl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride (CID 18698213) is (1-aminocyclopentyl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for (1-aminocyclopentyl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for (1-aminocyclopentyl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride is CN1CCN(C(=O)C2(N)CCCC2)CC1.Cl.Cl.
What is the InChIKey of (1-aminocyclopentyl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is MYVWJCDGRUONGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.2ClH/c1-13-6-8-14(9-7-13)10(15)11(12)4-2-3-5-11;;/h2-9,12H2,1H3;2*1H.
What are the key properties of (1-aminocyclopentyl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride?
(1-aminocyclopentyl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 284.23 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(4-methylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 18698213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).