3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine

C17H28N2 — CID 62617209

IUPAC3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
SMILESCCC1CCCN(CCC(N)c2ccc(C)cc2)C1
InChIInChI=1S/C17H28N2/c1-3-15-5-4-11-19(13-15)12-10-17(18)16-8-6-14(2)7-9-16/h6-9,15,17H,3-5,10-13,18H2,1-2H3
InChIKeyXYRXIVFQUVHHIO-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.51
Rot. Bonds5

About 3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine

3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine (PubChem CID 62617209) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
PubChem CID62617209
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine
SMILESCCC1CCCN(CCC(N)c2ccc(C)cc2)C1
InChIInChI=1S/C17H28N2/c1-3-15-5-4-11-19(13-15)12-10-17(18)16-8-6-14(2)7-9-16/h6-9,15,17H,3-5,10-13,18H2,1-2H3
InChIKeyXYRXIVFQUVHHIO-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(3-ethylpiperidin-1-yl)propan-1-amine
CID 62629419
3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 113418919
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
CID 106586509
4-(3-ethylpiperidin-1-yl)butan-2-amine
CID 43584476
3-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62618540
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643869
3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 106589114
1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine
CID 62624076
1-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 62618530
2-amino-4-(3-ethylpiperidin-1-yl)butanenitrile
CID 63028493
1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62778017
2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanamine
CID 43584428

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine (CID 62617209) is 3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine is CCC1CCCN(CCC(N)c2ccc(C)cc2)C1.
What is the InChIKey of 3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine?
The InChIKey is XYRXIVFQUVHHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-15-5-4-11-19(13-15)12-10-17(18)16-8-6-14(2)7-9-16/h6-9,15,17H,3-5,10-13,18H2,1-2H3.
What are the key properties of 3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine?
3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 62617209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).