1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine

C18H30N2 — CID 63793471

IUPAC1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1N1CCC(C)(CC)CC1
InChIInChI=1S/C18H30N2/c1-4-16(19)14-15-8-6-7-9-17(15)20-12-10-18(3,5-2)11-13-20/h6-9,16H,4-5,10-14,19H2,1-3H3
InChIKeySFKIIXSCWYBPOO-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.98
Rot. Bonds5

About 1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine

1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine (PubChem CID 63793471) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine
PubChem CID63793471
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1N1CCC(C)(CC)CC1
InChIInChI=1S/C18H30N2/c1-4-16(19)14-15-8-6-7-9-17(15)20-12-10-18(3,5-2)11-13-20/h6-9,16H,4-5,10-14,19H2,1-3H3
InChIKeySFKIIXSCWYBPOO-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine (CID 63793471) is 1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine is CCC(N)Cc1ccccc1N1CCC(C)(CC)CC1.
What is the InChIKey of 1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine?
The InChIKey is SFKIIXSCWYBPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-16(19)14-15-8-6-7-9-17(15)20-12-10-18(3,5-2)11-13-20/h6-9,16H,4-5,10-14,19H2,1-3H3.
What are the key properties of 1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine?
1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine is sourced from PubChem (CID 63793471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).