N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine

C15H23FN2 — CID 115211436

IUPACN-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine
SMILESFc1ccccc1CCNCCC1CCCNC1
InChIInChI=1S/C15H23FN2/c16-15-6-2-1-5-14(15)8-11-17-10-7-13-4-3-9-18-12-13/h1-2,5-6,13,17-18H,3-4,7-12H2
InChIKeyPWZZVTKFNCZZHF-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.35
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine

N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine (PubChem CID 115211436) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine
PubChem CID115211436
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine
SMILESFc1ccccc1CCNCCC1CCCNC1
InChIInChI=1S/C15H23FN2/c16-15-6-2-1-5-14(15)8-11-17-10-7-13-4-3-9-18-12-13/h1-2,5-6,13,17-18H,3-4,7-12H2
InChIKeyPWZZVTKFNCZZHF-UHFFFAOYSA-N
XLogP2.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine 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-[(5-chloro-2-fluorophenyl)methyl]-2-piperidin-3-ylethanamine
CID 117044344
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831008
1-(2-fluorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 60895338
2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine
CID 115209720
(2-fluorophenyl)methyl 2-piperidin-3-ylacetate
CID 63932202
3-fluoro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629585
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
3-[2-(2,5-difluorophenyl)ethyl]piperidine
CID 62234772
3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 79749359
N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208851

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine (CID 115211436) is N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine is Fc1ccccc1CCNCCC1CCCNC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine?
The InChIKey is PWZZVTKFNCZZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c16-15-6-2-1-5-14(15)8-11-17-10-7-13-4-3-9-18-12-13/h1-2,5-6,13,17-18H,3-4,7-12H2.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine?
N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-piperidin-3-ylethanamine is sourced from PubChem (CID 115211436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).