1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine

C13H18F2N2 — CID 116936470

IUPAC1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine
SMILESNC(CC1CCNCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2/c14-11-2-1-10(8-12(11)15)13(16)7-9-3-5-17-6-4-9/h1-2,8-9,13,17H,3-7,16H2
InChIKeyJENWWYKXYTVECP-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.35
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine

1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine (PubChem CID 116936470) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine
PubChem CID116936470
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine
SMILESNC(CC1CCNCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2/c14-11-2-1-10(8-12(11)15)13(16)7-9-3-5-17-6-4-9/h1-2,8-9,13,17H,3-7,16H2
InChIKeyJENWWYKXYTVECP-UHFFFAOYSA-N
XLogP2.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810
1-(4-fluorophenyl)-2-pyrrolidin-3-ylethanamine
CID 116936082
1-(4-chloro-3-fluorophenyl)-2-cyclopropylethanamine
CID 103693328
1-[4-(aminomethyl)-3-fluorophenyl]-2-cyclopropylethanamine
CID 150062889
1-(3-bromophenyl)-2-piperidin-4-ylethanamine
CID 116936511
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine
CID 116941595
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
(3,4-difluorophenyl)-piperidin-4-ylmethanol
CID 43146486
2-cyclobutyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 65459488
1-(3-bromo-4-fluorophenyl)-2-cycloheptylethanamine
CID 114457720
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine (CID 116936470) is 1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine is NC(CC1CCNCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine?
The InChIKey is JENWWYKXYTVECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c14-11-2-1-10(8-12(11)15)13(16)7-9-3-5-17-6-4-9/h1-2,8-9,13,17H,3-7,16H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine?
1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine has a molecular weight of 240.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine is sourced from PubChem (CID 116936470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).