(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine

C13H19FN2O — CID 70196823

IUPAC(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
SMILESCOc1cc(F)ccc1C(N)C1CCNCC1
InChIInChI=1S/C13H19FN2O/c1-17-12-8-10(14)2-3-11(12)13(15)9-4-6-16-7-5-9/h2-3,8-9,13,16H,4-7,15H2,1H3
InChIKeyBMKZGJDKWKWWCN-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.83
Rot. Bonds3

About (4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine

(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine (PubChem CID 70196823) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is (4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
PubChem CID70196823
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
SMILESCOc1cc(F)ccc1C(N)C1CCNCC1
InChIInChI=1S/C13H19FN2O/c1-17-12-8-10(14)2-3-11(12)13(15)9-4-6-16-7-5-9/h2-3,8-9,13,16H,4-7,15H2,1H3
InChIKeyBMKZGJDKWKWWCN-UHFFFAOYSA-N
XLogP1.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-fluoro-2-methoxyphenyl)-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-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902
(R)-(2,4-dimethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314189
(R)-[2-methoxy-4-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine;hydrochloride
CID 171314755
(R)-(4-fluoro-2-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314219
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
(R)-(2-bromo-4-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314194
(R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314252
(2,5-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287809
(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314322
(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308334
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
1-(5-fluoro-2-methoxyphenyl)-N,N-dimethyl-1-piperidin-4-ylmethanamine
CID 82304521

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine?
The IUPAC name of (4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine (CID 70196823) is (4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine.
What is the SMILES notation for (4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine?
The canonical SMILES for (4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine is COc1cc(F)ccc1C(N)C1CCNCC1.
What is the InChIKey of (4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine?
The InChIKey is BMKZGJDKWKWWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-12-8-10(14)2-3-11(12)13(15)9-4-6-16-7-5-9/h2-3,8-9,13,16H,4-7,15H2,1H3.
What are the key properties of (4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine?
(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine has a molecular weight of 238.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine is sourced from PubChem (CID 70196823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).