1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione

C17H24N2O2 — CID 120816946

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione
SMILESCC1(C)CN(C(=O)CCC(=O)c2ccccc2)CCC1N
InChIInChI=1S/C17H24N2O2/c1-17(2)12-19(11-10-15(17)18)16(21)9-8-14(20)13-6-4-3-5-7-13/h3-7,15H,8-12,18H2,1-2H3
InChIKeyPZBRMVFBJHQDGS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.24
Rot. Bonds4

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione

1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione (PubChem CID 120816946) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione
PubChem CID120816946
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione
SMILESCC1(C)CN(C(=O)CCC(=O)c2ccccc2)CCC1N
InChIInChI=1S/C17H24N2O2/c1-17(2)12-19(11-10-15(17)18)16(21)9-8-14(20)13-6-4-3-5-7-13/h3-7,15H,8-12,18H2,1-2H3
InChIKeyPZBRMVFBJHQDGS-UHFFFAOYSA-N
XLogP2.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)-3-phenylpropan-1-one
CID 115269770
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione;hydrochloride
CID 120818650
1-(4-amino-3,3-dimethylpiperidin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 120818369
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-(2-methylphenyl)ethanone
CID 115269778
3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide
CID 120819165
1-(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-4-phenylbutane-1,4-dione
CID 71921884
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2-methylanilino)propan-1-one;dihydrochloride
CID 120818166
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 120818633
1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 121091399

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione (CID 120816946) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione is CC1(C)CN(C(=O)CCC(=O)c2ccccc2)CCC1N.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione?
The InChIKey is PZBRMVFBJHQDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2)12-19(11-10-15(17)18)16(21)9-8-14(20)13-6-4-3-5-7-13/h3-7,15H,8-12,18H2,1-2H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione has a molecular weight of 288.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione is sourced from PubChem (CID 120816946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).