2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine

C15H23FN2 — CID 62656306

IUPAC2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
SMILESCN1CCCC(CNCCc2ccc(F)cc2)C1
InChIInChI=1S/C15H23FN2/c1-18-10-2-3-14(12-18)11-17-9-8-13-4-6-15(16)7-5-13/h4-7,14,17H,2-3,8-12H2,1H3
InChIKeyZGTFMVWJOHLLKM-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.30
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine

2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine (PubChem CID 62656306) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
PubChem CID62656306
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
SMILESCN1CCCC(CNCCc2ccc(F)cc2)C1
InChIInChI=1S/C15H23FN2/c1-18-10-2-3-14(12-18)11-17-9-8-13-4-6-15(16)7-5-13/h4-7,14,17H,2-3,8-12H2,1H3
InChIKeyZGTFMVWJOHLLKM-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine 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

N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
tert-butyl 3-[[2-(4-fluorophenyl)ethylamino]methyl]piperidine-1-carboxylate
CID 113239051
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 55066017
1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66410289
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 114185670
N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110852538
2-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107131138
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine
CID 60856584
ethane;N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]aniline
CID 142099253

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine (CID 62656306) is 2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine is CN1CCCC(CNCCc2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is ZGTFMVWJOHLLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-18-10-2-3-14(12-18)11-17-9-8-13-4-6-15(16)7-5-13/h4-7,14,17H,2-3,8-12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine?
2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 62656306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).