3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride

C10H22ClN3O — CID 130637170

IUPAC3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
SMILESCC(C)(CN)C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C10H21N3O.ClH/c1-10(2,7-11)9(14)13-5-3-4-8(12)6-13;/h8H,3-7,11-12H2,1-2H3;1H
InChIKeyLOMXIPSEGQHZQR-UHFFFAOYSA-N
MW235.76 g/mol
LogP0.34
Rot. Bonds2

About 3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride

3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride (PubChem CID 130637170) has the molecular formula C10H22ClN3O and a molecular weight of 235.76 g/mol. Its IUPAC name is 3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
PubChem CID130637170
Molecular FormulaC10H22ClN3O
Molecular Weight235.76 g/mol
Exact Mass235.15
IUPAC Name3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
SMILESCC(C)(CN)C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C10H21N3O.ClH/c1-10(2,7-11)9(14)13-5-3-4-8(12)6-13;/h8H,3-7,11-12H2,1-2H3;1H
InChIKeyLOMXIPSEGQHZQR-UHFFFAOYSA-N
XLogP0.34
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
CID 94547731
N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119722478
3-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 112624833
1-(3-amino-2,2-dimethylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115426454
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-amino-2,2-dimethylpropan-1-one;hydrochloride
CID 119788314
3-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 64569299
3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 129276778
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
3-amino-2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63168632
3-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;dihydrochloride
CID 119843250
3-aminopiperidine-1-carboxamide;hydrochloride
CID 141463917
1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 44784895

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride (CID 130637170) is 3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride is CC(C)(CN)C(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride?
The InChIKey is LOMXIPSEGQHZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O.ClH/c1-10(2,7-11)9(14)13-5-3-4-8(12)6-13;/h8H,3-7,11-12H2,1-2H3;1H.
What are the key properties of 3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride?
3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride has a molecular weight of 235.76 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride is sourced from PubChem (CID 130637170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).