1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride

C15H31ClN2O — CID 119520948

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride
SMILESCC(N)C1CCN(C(=O)CCCC(C)(C)C)CC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-12(16)13-7-10-17(11-8-13)14(18)6-5-9-15(2,3)4;/h12-13H,5-11,16H2,1-4H3;1H
InChIKeyXOKFZTMKKCPJBV-UHFFFAOYSA-N
MW290.88 g/mol
LogP3.21
Rot. Bonds4

About 1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride

1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride (PubChem CID 119520948) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride
PubChem CID119520948
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride
SMILESCC(N)C1CCN(C(=O)CCCC(C)(C)C)CC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-12(16)13-7-10-17(11-8-13)14(18)6-5-9-15(2,3)4;/h12-13H,5-11,16H2,1-4H3;1H
InChIKeyXOKFZTMKKCPJBV-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 119260463
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride
CID 119518214
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119519992
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 119517349
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026
1-[4-(1-aminoethyl)piperidin-1-yl]-3,5,5-trimethylhexan-1-one
CID 63595847
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide
CID 119517350
1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119517505
5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 119564039
5-[4-(1-aminoethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide
CID 119520390

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride (CID 119520948) is 1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride is CC(N)C1CCN(C(=O)CCCC(C)(C)C)CC1.Cl.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride?
The InChIKey is XOKFZTMKKCPJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-12(16)13-7-10-17(11-8-13)14(18)6-5-9-15(2,3)4;/h12-13H,5-11,16H2,1-4H3;1H.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride?
1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride is sourced from PubChem (CID 119520948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).