1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride

C19H31ClN2O — CID 120819474

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride
SMILESCCC(C)C(C(=O)N1CCC(N)C(C)(C)C1)c1ccccc1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-5-14(2)17(15-9-7-6-8-10-15)18(22)21-12-11-16(20)19(3,4)13-21;/h6-10,14,16-17H,5,11-13,20H2,1-4H3;1H
InChIKeyXXCCMVPYLDFJBI-UHFFFAOYSA-N
MW338.92 g/mol
LogP3.82
Rot. Bonds4

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride

1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride (PubChem CID 120819474) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride
PubChem CID120819474
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride
SMILESCCC(C)C(C(=O)N1CCC(N)C(C)(C)C1)c1ccccc1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-5-14(2)17(15-9-7-6-8-10-15)18(22)21-12-11-16(20)19(3,4)13-21;/h6-10,14,16-17H,5,11-13,20H2,1-4H3;1H
InChIKeyXXCCMVPYLDFJBI-UHFFFAOYSA-N
XLogP3.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromopyrrolidin-1-yl)-3-methyl-2-phenylpentan-1-one
CID 80677803
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-methylsulfanyl-2-phenylethanone
CID 120817338
1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one
CID 114501404
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 62372521
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride
CID 120819720
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)-2-phenylethanone
CID 120817416
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one
CID 120819721
1-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-phenylurea;hydrochloride
CID 120814480
2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid
CID 64604181
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride
CID 120818051
6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175638

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride (CID 120819474) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride is CCC(C)C(C(=O)N1CCC(N)C(C)(C)C1)c1ccccc1.Cl.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride?
The InChIKey is XXCCMVPYLDFJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-5-14(2)17(15-9-7-6-8-10-15)18(22)21-12-11-16(20)19(3,4)13-21;/h6-10,14,16-17H,5,11-13,20H2,1-4H3;1H.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride is sourced from PubChem (CID 120819474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).