4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine

C13H20FN3 — CID 62377830

IUPAC4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine
SMILESNc1ccc(F)cc1NCCN1CCCCC1
InChIInChI=1S/C13H20FN3/c14-11-4-5-12(15)13(10-11)16-6-9-17-7-2-1-3-8-17/h4-5,10,16H,1-3,6-9,15H2
InChIKeyLBHYLCUKNZTHJO-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.31
Rot. Bonds4

About 4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine

4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine (PubChem CID 62377830) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine
PubChem CID62377830
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine
SMILESNc1ccc(F)cc1NCCN1CCCCC1
InChIInChI=1S/C13H20FN3/c14-11-4-5-12(15)13(10-11)16-6-9-17-7-2-1-3-8-17/h4-5,10,16H,1-3,6-9,15H2
InChIKeyLBHYLCUKNZTHJO-UHFFFAOYSA-N
XLogP2.31
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(azepan-1-yl)ethyl]benzene-1,2,4-triamine
CID 106750490
N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline
CID 62575706
1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 61242311
4-amino-N-ethyl-3-(2-piperidin-1-ylethylamino)benzamide
CID 63361068
N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline
CID 54807239
4-bromo-1-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 62642302
2,4-difluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82890129
1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,3-diamine
CID 62911471
5-chloro-6-fluoro-1-N-(2-piperidin-1-ylethyl)benzene-1,2,4-triamine
CID 103552870
2-chloro-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 54960814
4-(2-amino-5-fluoroanilino)butan-1-ol
CID 58656023
2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911386

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine (CID 62377830) is 4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine is Nc1ccc(F)cc1NCCN1CCCCC1.
What is the InChIKey of 4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine?
The InChIKey is LBHYLCUKNZTHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c14-11-4-5-12(15)13(10-11)16-6-9-17-7-2-1-3-8-17/h4-5,10,16H,1-3,6-9,15H2.
What are the key properties of 4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine?
4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine has a molecular weight of 237.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-(2-piperidin-1-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 62377830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).