N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine

C18H27FN2 — CID 43634682

IUPACN-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NC2CC(c3ccccc3F)C2)CC1
InChIInChI=1S/C18H27FN2/c1-13(2)21-9-7-15(8-10-21)20-16-11-14(12-16)17-5-3-4-6-18(17)19/h3-6,13-16,20H,7-12H2,1-2H3
InChIKeyXOPRYEVGXFINBK-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.53
Rot. Bonds4

About N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine

N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 43634682) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID43634682
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC NameN-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(NC2CC(c3ccccc3F)C2)CC1
InChIInChI=1S/C18H27FN2/c1-13(2)21-9-7-15(8-10-21)20-16-11-14(12-16)17-5-3-4-6-18(17)19/h3-6,13-16,20H,7-12H2,1-2H3
InChIKeyXOPRYEVGXFINBK-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine (CID 43634682) is N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(NC2CC(c3ccccc3F)C2)CC1.
What is the InChIKey of N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is XOPRYEVGXFINBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-13(2)21-9-7-15(8-10-21)20-16-11-14(12-16)17-5-3-4-6-18(17)19/h3-6,13-16,20H,7-12H2,1-2H3.
What are the key properties of N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine?
N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 290.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)cyclobutyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 43634682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).