1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine

C19H32N2 — CID 63482314

IUPAC1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCCC(C)C1)c1ccc(C)cc1
InChIInChI=1S/C19H32N2/c1-4-12-20-19(18-9-7-16(2)8-10-18)11-14-21-13-5-6-17(3)15-21/h7-10,17,19-20H,4-6,11-15H2,1-3H3
InChIKeyDDUHMZKDAIQIEX-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.16
Rot. Bonds7

About 1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine

1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine (PubChem CID 63482314) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
PubChem CID63482314
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCCC(C)C1)c1ccc(C)cc1
InChIInChI=1S/C19H32N2/c1-4-12-20-19(18-9-7-16(2)8-10-18)11-14-21-13-5-6-17(3)15-21/h7-10,17,19-20H,4-6,11-15H2,1-3H3
InChIKeyDDUHMZKDAIQIEX-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylazepan-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 63624687
N-ethyl-1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62644087
1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62617347
[1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol
CID 62618435
N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 63622479
N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613985
1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62628581
N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine
CID 63163998
N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 62617686
3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 79184402
1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
CID 62612332
1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine
CID 62643747

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine (CID 63482314) is 1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine is CCCNC(CCN1CCCC(C)C1)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine?
The InChIKey is DDUHMZKDAIQIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-12-20-19(18-9-7-16(2)8-10-18)11-14-21-13-5-6-17(3)15-21/h7-10,17,19-20H,4-6,11-15H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine?
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 63482314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).