1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine

C17H28N2 — CID 83990850

IUPAC1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine
SMILESCCCNC1CC(c2ccc(C)cc2)CN(CC)C1
InChIInChI=1S/C17H28N2/c1-4-10-18-17-11-16(12-19(5-2)13-17)15-8-6-14(3)7-9-15/h6-9,16-18H,4-5,10-13H2,1-3H3
InChIKeyNWUWRWTWJWSZRB-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.17
Rot. Bonds5

About 1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine

1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine (PubChem CID 83990850) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine
PubChem CID83990850
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine
SMILESCCCNC1CC(c2ccc(C)cc2)CN(CC)C1
InChIInChI=1S/C17H28N2/c1-4-10-18-17-11-16(12-19(5-2)13-17)15-8-6-14(3)7-9-15/h6-9,16-18H,4-5,10-13H2,1-3H3
InChIKeyNWUWRWTWJWSZRB-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine
CID 83990215
N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633229
N-(cyclobutylmethyl)-1-ethyl-5-(4-fluorophenyl)piperidin-3-amine
CID 83996965
1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992089
N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43634778
2-[3-(cyclobutylmethylamino)-5-(4-methylphenyl)piperidin-1-yl]acetonitrile
CID 83997512
N-cyclohexyl-1-ethyl-5-phenylpiperidin-3-amine
CID 83999040
8-[1-(4-methylphenyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739866
2,2-dimethyl-3-(4-methylphenyl)-N-propylcyclobutan-1-amine
CID 81418143
N-cyclohexyl-1-ethyl-5-(3-methylphenyl)piperidin-3-amine
CID 83999044
ethyl N-[1-(cyanomethyl)-5-(4-methylphenyl)piperidin-3-yl]carbamate
CID 112544182

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine?
The IUPAC name of 1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine (CID 83990850) is 1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine.
What is the SMILES notation for 1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine?
The canonical SMILES for 1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine is CCCNC1CC(c2ccc(C)cc2)CN(CC)C1.
What is the InChIKey of 1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine?
The InChIKey is NWUWRWTWJWSZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-10-18-17-11-16(12-19(5-2)13-17)15-8-6-14(3)7-9-15/h6-9,16-18H,4-5,10-13H2,1-3H3.
What are the key properties of 1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine?
1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine has a molecular weight of 260.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-methylphenyl)-N-propylpiperidin-3-amine is sourced from PubChem (CID 83990850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).