[4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine

C18H30N2 — CID 103351805

IUPAC[4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine
SMILESCCC1CCN(C(CC)c2ccc(C)cc2)C(CN)C1
InChIInChI=1S/C18H30N2/c1-4-15-10-11-20(17(12-15)13-19)18(5-2)16-8-6-14(3)7-9-16/h6-9,15,17-18H,4-5,10-13,19H2,1-3H3
InChIKeyZPMOYSZXMAKTLV-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.90
Rot. Bonds5

About [4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine

[4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine (PubChem CID 103351805) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is [4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine
PubChem CID103351805
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name[4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine
SMILESCCC1CCN(C(CC)c2ccc(C)cc2)C(CN)C1
InChIInChI=1S/C18H30N2/c1-4-15-10-11-20(17(12-15)13-19)18(5-2)16-8-6-14(3)7-9-16/h6-9,15,17-18H,4-5,10-13,19H2,1-3H3
InChIKeyZPMOYSZXMAKTLV-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol
CID 103351995
[1-[1-(3-chlorophenyl)propyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351682
[4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
CID 103351865
[1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351643
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile
CID 103353322
[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606
(1-but-3-yn-2-yl-4-ethylpiperidin-2-yl)methanamine
CID 103353273
[1-[1-(5-bromothiophen-2-yl)ethyl]-4-ethylpiperidin-2-yl]methanamine
CID 103352002
1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine
CID 55216289
4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol
CID 103351984
[4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
CID 103440626
[1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine
CID 103440552

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine (CID 103351805) is [4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine is CCC1CCN(C(CC)c2ccc(C)cc2)C(CN)C1.
What is the InChIKey of [4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine?
The InChIKey is ZPMOYSZXMAKTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-15-10-11-20(17(12-15)13-19)18(5-2)16-8-6-14(3)7-9-16/h6-9,15,17-18H,4-5,10-13,19H2,1-3H3.
What are the key properties of [4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine?
[4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine has a molecular weight of 274.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-[1-(4-methylphenyl)propyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 103351805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).