3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine

C18H29FN2 — CID 114831349

IUPAC3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine
SMILESCCCC1CCN(C(C)(CN)Cc2ccccc2F)CC1
InChIInChI=1S/C18H29FN2/c1-3-6-15-9-11-21(12-10-15)18(2,14-20)13-16-7-4-5-8-17(16)19/h4-5,7-8,15H,3,6,9-14,20H2,1-2H3
InChIKeyINTBNCSRLSXNBZ-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.60
Rot. Bonds6

About 3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine

3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine (PubChem CID 114831349) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine
PubChem CID114831349
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine
SMILESCCCC1CCN(C(C)(CN)Cc2ccccc2F)CC1
InChIInChI=1S/C18H29FN2/c1-3-6-15-9-11-21(12-10-15)18(2,14-20)13-16-7-4-5-8-17(16)19/h4-5,7-8,15H,3,6,9-14,20H2,1-2H3
InChIKeyINTBNCSRLSXNBZ-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-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 3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine (CID 114831349) is 3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine is CCCC1CCN(C(C)(CN)Cc2ccccc2F)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine?
The InChIKey is INTBNCSRLSXNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-3-6-15-9-11-21(12-10-15)18(2,14-20)13-16-7-4-5-8-17(16)19/h4-5,7-8,15H,3,6,9-14,20H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine?
3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methyl-2-(4-propylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 114831349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).