1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine

C18H28N2 — CID 45174783

IUPAC1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine
SMILESCN(CCc1ccccc1)C1CCCN(C2CCC2)C1
InChIInChI=1S/C18H28N2/c1-19(14-12-16-7-3-2-4-8-16)18-11-6-13-20(15-18)17-9-5-10-17/h2-4,7-8,17-18H,5-6,9-15H2,1H3
InChIKeyJFMHLXYBSXRRKM-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.18
Rot. Bonds5

About 1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine

1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine (PubChem CID 45174783) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine
PubChem CID45174783
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine
SMILESCN(CCc1ccccc1)C1CCCN(C2CCC2)C1
InChIInChI=1S/C18H28N2/c1-19(14-12-16-7-3-2-4-8-16)18-11-6-13-20(15-18)17-9-5-10-17/h2-4,7-8,17-18H,5-6,9-15H2,1H3
InChIKeyJFMHLXYBSXRRKM-UHFFFAOYSA-N
XLogP3.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine?
The IUPAC name of 1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine (CID 45174783) is 1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine?
The canonical SMILES for 1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine is CN(CCc1ccccc1)C1CCCN(C2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine?
The InChIKey is JFMHLXYBSXRRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-19(14-12-16-7-3-2-4-8-16)18-11-6-13-20(15-18)17-9-5-10-17/h2-4,7-8,17-18H,5-6,9-15H2,1H3.
What are the key properties of 1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine?
1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-N-(2-phenylethyl)piperidin-3-amine is sourced from PubChem (CID 45174783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).