(3,4-difluorophenyl)-piperidin-4-ylmethanamine

C12H16F2N2 — CID 82287810

IUPAC(3,4-difluorophenyl)-piperidin-4-ylmethanamine
SMILESNC(c1ccc(F)c(F)c1)C1CCNCC1
InChIInChI=1S/C12H16F2N2/c13-10-2-1-9(7-11(10)14)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6,15H2
InChIKeyZHDAWFXEOIAKFX-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.96
Rot. Bonds2

About (3,4-difluorophenyl)-piperidin-4-ylmethanamine

(3,4-difluorophenyl)-piperidin-4-ylmethanamine (PubChem CID 82287810) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is (3,4-difluorophenyl)-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-piperidin-4-ylmethanamine
PubChem CID82287810
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name(3,4-difluorophenyl)-piperidin-4-ylmethanamine
SMILESNC(c1ccc(F)c(F)c1)C1CCNCC1
InChIInChI=1S/C12H16F2N2/c13-10-2-1-9(7-11(10)14)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6,15H2
InChIKeyZHDAWFXEOIAKFX-UHFFFAOYSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3,4-difluorophenyl)-piperidin-4-ylmethanamine 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

(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride
CID 171229648
(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314319
(3,4-difluorophenyl)-piperidin-4-ylmethanol
CID 43146486
azetidin-3-yl-(3,4-difluorophenyl)methanamine
CID 116935312
1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine
CID 116936470
(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
CID 24829096
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
(2,5-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287809
(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201
(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314322
(R)-piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 171314104
4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol
CID 171314242

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-piperidin-4-ylmethanamine?
The IUPAC name of (3,4-difluorophenyl)-piperidin-4-ylmethanamine (CID 82287810) is (3,4-difluorophenyl)-piperidin-4-ylmethanamine.
What is the SMILES notation for (3,4-difluorophenyl)-piperidin-4-ylmethanamine?
The canonical SMILES for (3,4-difluorophenyl)-piperidin-4-ylmethanamine is NC(c1ccc(F)c(F)c1)C1CCNCC1.
What is the InChIKey of (3,4-difluorophenyl)-piperidin-4-ylmethanamine?
The InChIKey is ZHDAWFXEOIAKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-10-2-1-9(7-11(10)14)12(15)8-3-5-16-6-4-8/h1-2,7-8,12,16H,3-6,15H2.
What are the key properties of (3,4-difluorophenyl)-piperidin-4-ylmethanamine?
(3,4-difluorophenyl)-piperidin-4-ylmethanamine has a molecular weight of 226.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-piperidin-4-ylmethanamine is sourced from PubChem (CID 82287810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).