2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride

C16H25ClN2O — CID 119295543

IUPAC2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCC1(C)CCCN(C(=O)C(N)Cc2ccccc2)C1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-16(2)9-6-10-18(12-16)15(19)14(17)11-13-7-4-3-5-8-13;/h3-5,7-8,14H,6,9-12,17H2,1-2H3;1H
InChIKeyGUKPFRKQVWSTIO-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.63
Rot. Bonds3

About 2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride

2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride (PubChem CID 119295543) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
PubChem CID119295543
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCC1(C)CCCN(C(=O)C(N)Cc2ccccc2)C1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-16(2)9-6-10-18(12-16)15(19)14(17)11-13-7-4-3-5-8-13;/h3-5,7-8,14H,6,9-12,17H2,1-2H3;1H
InChIKeyGUKPFRKQVWSTIO-UHFFFAOYSA-N
XLogP2.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid
CID 63134188
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(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-(3,3-dimethylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 119734709
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
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2-amino-1-(2-methyl-1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119316813
2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295495
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-1-(4,4-dimethylazepan-1-yl)propan-1-one;dihydrochloride
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1-(3-hydroxy-3-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107036046
2-amino-3-phenyl-1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one;dihydrochloride
CID 119860769
(2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one
CID 94907209
(2R)-2-amino-1-(1,4-diazepan-1-yl)-3-phenylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride (CID 119295543) is 2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride is CC1(C)CCCN(C(=O)C(N)Cc2ccccc2)C1.Cl.
What is the InChIKey of 2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
The InChIKey is GUKPFRKQVWSTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-16(2)9-6-10-18(12-16)15(19)14(17)11-13-7-4-3-5-8-13;/h3-5,7-8,14H,6,9-12,17H2,1-2H3;1H.
What are the key properties of 2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride?
2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119295543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).