4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine

C13H16F3N — CID 112563630

IUPAC4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine
SMILESFc1ccc(CC(F)C2CCNCC2)cc1F
InChIInChI=1S/C13H16F3N/c14-11-2-1-9(8-13(11)16)7-12(15)10-3-5-17-6-4-10/h1-2,8,10,12,17H,3-7H2
InChIKeyBDNHERPBKDTVTC-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.85
Rot. Bonds3

About 4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine

4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine (PubChem CID 112563630) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine
PubChem CID112563630
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine
SMILESFc1ccc(CC(F)C2CCNCC2)cc1F
InChIInChI=1S/C13H16F3N/c14-11-2-1-9(8-13(11)16)7-12(15)10-3-5-17-6-4-10/h1-2,8,10,12,17H,3-7H2
InChIKeyBDNHERPBKDTVTC-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine 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

4-[2-(3-bromo-4-fluorophenyl)-1-fluoroethyl]piperidine
CID 112563662
4-[2-(3-chlorophenyl)-1-fluoroethyl]piperidine
CID 112563625
4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine
CID 112563707
4-[2-(2,6-difluorophenyl)-1-fluoroethyl]piperidine
CID 114935288
4-[1-fluoro-2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
CID 112563753
4-[(3,4-difluorophenyl)methoxy]piperidine
CID 67355988
4-[3-(3,4-difluorophenyl)propyl]piperidine
CID 18187745
N-[(3,4-difluorophenyl)methyl]azepan-4-amine
CID 103981875
(3,4-difluorophenyl)-piperidin-4-ylmethanol
CID 43146486
(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810
N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962
3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine
CID 105464966

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine?
The IUPAC name of 4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine (CID 112563630) is 4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine?
The canonical SMILES for 4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine is Fc1ccc(CC(F)C2CCNCC2)cc1F.
What is the InChIKey of 4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine?
The InChIKey is BDNHERPBKDTVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c14-11-2-1-9(8-13(11)16)7-12(15)10-3-5-17-6-4-10/h1-2,8,10,12,17H,3-7H2.
What are the key properties of 4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine?
4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine has a molecular weight of 243.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-difluorophenyl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 112563630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).