(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine

C13H19FN2 — CID 116935640

IUPAC(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine
SMILESCc1cc(C(N)C2CCCCN2)ccc1F
InChIInChI=1S/C13H19FN2/c1-9-8-10(5-6-11(9)14)13(15)12-4-2-3-7-16-12/h5-6,8,12-13,16H,2-4,7,15H2,1H3
InChIKeyKNPQXTXRGNEKIE-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.28
Rot. Bonds2

About (4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine

(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine (PubChem CID 116935640) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine
PubChem CID116935640
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine
SMILESCc1cc(C(N)C2CCCCN2)ccc1F
InChIInChI=1S/C13H19FN2/c1-9-8-10(5-6-11(9)14)13(15)12-4-2-3-7-16-12/h5-6,8,12-13,16H,2-4,7,15H2,1H3
InChIKeyKNPQXTXRGNEKIE-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4-fluoro-3-methylphenyl)-piperidin-2-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

(4-fluorophenyl)-piperidin-2-ylmethanamine
CID 116935636
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine
CID 95446450
(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314319
(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105143022
(4-bromophenyl)-piperidin-2-ylmethanamine
CID 116935638
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine
CID 116935656
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951656
cyclopentyl-(4-fluoro-3-methylphenyl)methanol
CID 60929105
(4-ethoxyphenyl)-piperidin-2-ylmethanamine
CID 116935668
5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 116935674
(4-methoxy-2,3,6-trimethylphenyl)-piperidin-2-ylmethanamine
CID 116935748

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine?
The IUPAC name of (4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine (CID 116935640) is (4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine?
The canonical SMILES for (4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine is Cc1cc(C(N)C2CCCCN2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine?
The InChIKey is KNPQXTXRGNEKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9-8-10(5-6-11(9)14)13(15)12-4-2-3-7-16-12/h5-6,8,12-13,16H,2-4,7,15H2,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine?
(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine is sourced from PubChem (CID 116935640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).