5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline

C15H22FN3 — CID 63168620

IUPAC5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
SMILESNc1cc(F)ccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H22FN3/c16-12-4-5-15(14(17)10-12)19-9-6-13(11-19)18-7-2-1-3-8-18/h4-5,10,13H,1-3,6-9,11,17H2
InChIKeyNWJJSJGZMDWIML-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.47
Rot. Bonds2

About 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline

5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline (PubChem CID 63168620) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
PubChem CID63168620
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
SMILESNc1cc(F)ccc1N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H22FN3/c16-12-4-5-15(14(17)10-12)19-9-6-13(11-19)18-7-2-1-3-8-18/h4-5,10,13H,1-3,6-9,11,17H2
InChIKeyNWJJSJGZMDWIML-UHFFFAOYSA-N
XLogP2.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline 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

[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63170949
1-[1-[2-(bromomethyl)-4-fluorophenyl]pyrrolidin-3-yl]piperidine
CID 107083325
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)benzoic acid
CID 63170206
2-(azocan-1-yl)-5-fluoroaniline
CID 28799703
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
5-fluoro-2-piperidin-1-ylaniline
CID 6485403
5-chloro-4-fluoro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 66077256
4-fluoro-5-iodo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 66099728
2,4-difluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 115506976
2-(4-fluoro-2-methoxyphenyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926321
2-(4-fluoro-2-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929014
3-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 63168533

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
The IUPAC name of 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline (CID 63168620) is 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
The canonical SMILES for 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline is Nc1cc(F)ccc1N1CCC(N2CCCCC2)C1.
What is the InChIKey of 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
The InChIKey is NWJJSJGZMDWIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c16-12-4-5-15(14(17)10-12)19-9-6-13(11-19)18-7-2-1-3-8-18/h4-5,10,13H,1-3,6-9,11,17H2.
What are the key properties of 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline?
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline has a molecular weight of 263.36 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 63168620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).