1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine

C19H32N2 — CID 115995156

IUPAC1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1N1CCC(C)CC1C
InChIInChI=1S/C19H32N2/c1-5-12-20-18(6-2)17-9-7-8-10-19(17)21-13-11-15(3)14-16(21)4/h7-10,15-16,18,20H,5-6,11-14H2,1-4H3
InChIKeyPXVXIIDOVYWOKE-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.76
Rot. Bonds6

About 1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine

1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine (PubChem CID 115995156) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine
PubChem CID115995156
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1N1CCC(C)CC1C
InChIInChI=1S/C19H32N2/c1-5-12-20-18(6-2)17-9-7-8-10-19(17)21-13-11-15(3)14-16(21)4/h7-10,15-16,18,20H,5-6,11-14H2,1-4H3
InChIKeyPXVXIIDOVYWOKE-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-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 112677950
1-[2-(2-propan-2-ylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995308
1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115995307
1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]ethanol
CID 55061562
N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine
CID 63534019
1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994785
N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 112677727
N-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 62331056
1-(2-morpholin-4-ylphenyl)-N-propylpropan-1-amine
CID 112677731
1-[2-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994832
2-[1-[2-(4-methylpiperidin-1-yl)ethylamino]propyl]phenol
CID 61240084
1-(2-bromophenyl)-3-(4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63484292

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine (CID 115995156) is 1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccccc1N1CCC(C)CC1C.
What is the InChIKey of 1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine?
The InChIKey is PXVXIIDOVYWOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-12-20-18(6-2)17-9-7-8-10-19(17)21-13-11-15(3)14-16(21)4/h7-10,15-16,18,20H,5-6,11-14H2,1-4H3.
What are the key properties of 1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine?
1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-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-(2,4-dimethylpiperidin-1-yl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 115995156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).