2-chloro-3,5-difluoro-4-piperidin-1-ylaniline

C11H13ClF2N2 — CID 106701631

IUPAC2-chloro-3,5-difluoro-4-piperidin-1-ylaniline
SMILESNc1cc(F)c(N2CCCCC2)c(F)c1Cl
InChIInChI=1S/C11H13ClF2N2/c12-9-8(15)6-7(13)11(10(9)14)16-4-2-1-3-5-16/h6H,1-5,15H2
InChIKeyYHKMAFXIEHRBOV-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.19
Rot. Bonds1

About 2-chloro-3,5-difluoro-4-piperidin-1-ylaniline

2-chloro-3,5-difluoro-4-piperidin-1-ylaniline (PubChem CID 106701631) has the molecular formula C11H13ClF2N2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 2-chloro-3,5-difluoro-4-piperidin-1-ylaniline.

Molecular Properties

Compound Name2-chloro-3,5-difluoro-4-piperidin-1-ylaniline
PubChem CID106701631
Molecular FormulaC11H13ClF2N2
Molecular Weight246.69 g/mol
Exact Mass246.07
IUPAC Name2-chloro-3,5-difluoro-4-piperidin-1-ylaniline
SMILESNc1cc(F)c(N2CCCCC2)c(F)c1Cl
InChIInChI=1S/C11H13ClF2N2/c12-9-8(15)6-7(13)11(10(9)14)16-4-2-1-3-5-16/h6H,1-5,15H2
InChIKeyYHKMAFXIEHRBOV-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2,6-difluorophenyl)pyrrolidine
CID 168512042
2-(azepan-1-yl)-3,4-difluoroaniline
CID 62533316
4-chloro-6-(4,4-diethylpiperidin-1-yl)-5-fluorobenzene-1,3-diamine
CID 103553095
2-(azepan-1-yl)-5-fluoro-4-methylaniline
CID 103589726
3-bromo-5-fluoro-4-piperidin-1-ylaniline
CID 84713585
4,5-difluoro-2-pyrrolidin-1-ylaniline
CID 130536593
1-(4,6-diamino-3-chloro-2-fluorophenyl)-4-methylpiperidin-4-ol
CID 103553332
3-chloro-5-methyl-2-piperidin-1-ylaniline
CID 45371565
4-chloro-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzene-1,3-diamine
CID 103553073
4-(4-tert-butylpiperidin-1-yl)-6-chloro-5-fluorobenzene-1,3-diamine
CID 103552997
1-(2-chloro-3,6-difluorophenyl)pyrrolidine
CID 168513043
3-bromo-5-fluoro-4-pyrrolidin-1-ylaniline
CID 84709742

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,5-difluoro-4-piperidin-1-ylaniline?
The IUPAC name of 2-chloro-3,5-difluoro-4-piperidin-1-ylaniline (CID 106701631) is 2-chloro-3,5-difluoro-4-piperidin-1-ylaniline.
What is the SMILES notation for 2-chloro-3,5-difluoro-4-piperidin-1-ylaniline?
The canonical SMILES for 2-chloro-3,5-difluoro-4-piperidin-1-ylaniline is Nc1cc(F)c(N2CCCCC2)c(F)c1Cl.
What is the InChIKey of 2-chloro-3,5-difluoro-4-piperidin-1-ylaniline?
The InChIKey is YHKMAFXIEHRBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2/c12-9-8(15)6-7(13)11(10(9)14)16-4-2-1-3-5-16/h6H,1-5,15H2.
What are the key properties of 2-chloro-3,5-difluoro-4-piperidin-1-ylaniline?
2-chloro-3,5-difluoro-4-piperidin-1-ylaniline has a molecular weight of 246.69 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,5-difluoro-4-piperidin-1-ylaniline is sourced from PubChem (CID 106701631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).