1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine

C19H32N2 — CID 115995201

IUPAC1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1N1CCC(CC)(CC)CC1
InChIInChI=1S/C19H32N2/c1-5-17(20-4)16-10-8-9-11-18(16)21-14-12-19(6-2,7-3)13-15-21/h8-11,17,20H,5-7,12-15H2,1-4H3
InChIKeyOXWSUAPVAAZRMS-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.76
Rot. Bonds6

About 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine

1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine (PubChem CID 115995201) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
PubChem CID115995201
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1N1CCC(CC)(CC)CC1
InChIInChI=1S/C19H32N2/c1-5-17(20-4)16-10-8-9-11-18(16)21-14-12-19(6-2,7-3)13-15-21/h8-11,17,20H,5-7,12-15H2,1-4H3
InChIKeyOXWSUAPVAAZRMS-UHFFFAOYSA-N
XLogP4.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 63158539
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol
CID 55166791
[1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol
CID 112677818
1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754
1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994785
1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine
CID 115994813
1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine
CID 112678178
N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
CID 114490084
1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine
CID 79678198
1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylethanamine
CID 63534160
1-[2-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994832
1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 62936574

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine (CID 115995201) is 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1N1CCC(CC)(CC)CC1.
What is the InChIKey of 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine?
The InChIKey is OXWSUAPVAAZRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-17(20-4)16-10-8-9-11-18(16)21-14-12-19(6-2,7-3)13-15-21/h8-11,17,20H,5-7,12-15H2,1-4H3.
What are the key properties of 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine?
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 115995201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).