4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride

C12H27Cl2N3O — CID 120564498

IUPAC4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
SMILESCC(N)CCC(=O)N1CCN(C(C)C)CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-10(2)14-6-8-15(9-7-14)12(16)5-4-11(3)13;;/h10-11H,4-9,13H2,1-3H3;2*1H
InChIKeyZGXKRTYNCZPTIQ-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.51
Rot. Bonds4

About 4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride

4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride (PubChem CID 120564498) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is 4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
PubChem CID120564498
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
SMILESCC(N)CCC(=O)N1CCN(C(C)C)CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-10(2)14-6-8-15(9-7-14)12(16)5-4-11(3)13;;/h10-11H,4-9,13H2,1-3H3;2*1H
InChIKeyZGXKRTYNCZPTIQ-UHFFFAOYSA-N
XLogP1.51
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459
4-amino-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pentan-1-one
CID 120565930
4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564504
4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565339
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120564429
4-amino-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pentanamide;dihydrochloride
CID 120564659
4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560567
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120562620
4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181825
4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride
CID 120561009

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride?
The IUPAC name of 4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride (CID 120564498) is 4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride?
The canonical SMILES for 4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride is CC(N)CCC(=O)N1CCN(C(C)C)CC1.Cl.Cl.
What is the InChIKey of 4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride?
The InChIKey is ZGXKRTYNCZPTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-10(2)14-6-8-15(9-7-14)12(16)5-4-11(3)13;;/h10-11H,4-9,13H2,1-3H3;2*1H.
What are the key properties of 4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride?
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride is sourced from PubChem (CID 120564498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).