1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride

C17H37Cl2N3O — CID 119518214

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride
SMILESCCCN(CCC)CCCC(=O)N1CCC(C(C)N)CC1.Cl.Cl
InChIInChI=1S/C17H35N3O.2ClH/c1-4-10-19(11-5-2)12-6-7-17(21)20-13-8-16(9-14-20)15(3)18;;/h15-16H,4-14,18H2,1-3H3;2*1H
InChIKeyQHZRAUJDFJCJBP-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.32
Rot. Bonds9

About 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride

1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride (PubChem CID 119518214) has the molecular formula C17H37Cl2N3O and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride
PubChem CID119518214
Molecular FormulaC17H37Cl2N3O
Molecular Weight370.41 g/mol
Exact Mass369.23
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride
SMILESCCCN(CCC)CCCC(=O)N1CCC(C(C)N)CC1.Cl.Cl
InChIInChI=1S/C17H35N3O.2ClH/c1-4-10-19(11-5-2)12-6-7-17(21)20-13-8-16(9-14-20)15(3)18;;/h15-16H,4-14,18H2,1-3H3;2*1H
InChIKeyQHZRAUJDFJCJBP-UHFFFAOYSA-N
XLogP3.32
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-4-(dipropylamino)butan-1-one
CID 82042946
1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride
CID 119520948
4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 86899016
1-[4-(1-aminoethyl)piperidin-1-yl]-5-methylsulfanylpentan-1-one;hydrochloride
CID 119517668
1-[4-(1-aminoethyl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 119520963
5-[4-(1-aminoethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide
CID 119520390
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 119260463
1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119517505
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119519992
4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one
CID 62014831
1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
CID 119517006
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one;hydrochloride
CID 119517972

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride (CID 119518214) is 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride is CCCN(CCC)CCCC(=O)N1CCC(C(C)N)CC1.Cl.Cl.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride?
The InChIKey is QHZRAUJDFJCJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O.2ClH/c1-4-10-19(11-5-2)12-6-7-17(21)20-13-8-16(9-14-20)15(3)18;;/h15-16H,4-14,18H2,1-3H3;2*1H.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride?
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride has a molecular weight of 370.41 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride is sourced from PubChem (CID 119518214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).