1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one

C16H24N2O — CID 115269770

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
SMILESCC1(C)CN(C(=O)CCc2ccccc2)CCC1N
InChIInChI=1S/C16H24N2O/c1-16(2)12-18(11-10-14(16)17)15(19)9-8-13-6-4-3-5-7-13/h3-7,14H,8-12,17H2,1-2H3
InChIKeyIZTNNPGIGQHTFQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.20
Rot. Bonds3

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one

1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one (PubChem CID 115269770) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
PubChem CID115269770
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
SMILESCC1(C)CN(C(=O)CCc2ccccc2)CCC1N
InChIInChI=1S/C16H24N2O/c1-16(2)12-18(11-10-14(16)17)15(19)9-8-13-6-4-3-5-7-13/h3-7,14H,8-12,17H2,1-2H3
InChIKeyIZTNNPGIGQHTFQ-UHFFFAOYSA-N
XLogP2.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 120818633
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione
CID 120816946
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2-bromophenyl)propan-1-one
CID 115276695
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[1-(2-phenylethyl)cyclopentyl]ethanone;hydrochloride
CID 120814877
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione
CID 120819501
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 120817423
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 115269778
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2,4-dichlorophenyl)propan-1-one;hydrochloride
CID 120817658
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2-methylanilino)propan-1-one;dihydrochloride
CID 120818166
1-(5-methyl-1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 82244369
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 115276545

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one (CID 115269770) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one is CC1(C)CN(C(=O)CCc2ccccc2)CCC1N.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one?
The InChIKey is IZTNNPGIGQHTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)12-18(11-10-14(16)17)15(19)9-8-13-6-4-3-5-7-13/h3-7,14H,8-12,17H2,1-2H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.20, 3 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-phenylpropan-1-one is sourced from PubChem (CID 115269770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).