N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine

C17H28N2 — CID 43206682

IUPACN-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC(C)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H28N2/c1-4-11-19-12-9-17(10-13-19)18-15(3)16-7-5-14(2)6-8-16/h5-8,15,17-18H,4,9-13H2,1-3H3
InChIKeyWJHYAGLFKFVKRH-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds5

About N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine

N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine (PubChem CID 43206682) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
PubChem CID43206682
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC(C)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H28N2/c1-4-11-19-12-9-17(10-13-19)18-15(3)16-7-5-14(2)6-8-16/h5-8,15,17-18H,4,9-13H2,1-3H3
InChIKeyWJHYAGLFKFVKRH-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 43748363
N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine
CID 28717671
N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206708
1-ethyl-N-[(1S)-1-(4-methylphenyl)ethyl]azepan-4-amine
CID 81356240
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
N-(1-phenylethyl)-1-propylazepan-4-amine
CID 65072569
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206713
N-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine
CID 43182992
3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
CID 43206699
2-amino-2-(4-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide;dihydrochloride
CID 120669407

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine (CID 43206682) is N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine is CCCN1CCC(NC(C)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine?
The InChIKey is WJHYAGLFKFVKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-11-19-12-9-17(10-13-19)18-15(3)16-7-5-14(2)6-8-16/h5-8,15,17-18H,4,9-13H2,1-3H3.
What are the key properties of N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine?
N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 43206682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).