2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline

C16H21Cl2FN2 — CID 83078172

IUPAC2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
SMILESFc1cc(Cl)c(NC2CCCC2C2CCCCN2)c(Cl)c1
InChIInChI=1S/C16H21Cl2FN2/c17-12-8-10(19)9-13(18)16(12)21-15-6-3-4-11(15)14-5-1-2-7-20-14/h8-9,11,14-15,20-21H,1-7H2
InChIKeyADUDMLPQCAFZIX-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.86
Rot. Bonds3

About 2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline

2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline (PubChem CID 83078172) has the molecular formula C16H21Cl2FN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
PubChem CID83078172
Molecular FormulaC16H21Cl2FN2
Molecular Weight331.26 g/mol
Exact Mass330.11
IUPAC Name2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
SMILESFc1cc(Cl)c(NC2CCCC2C2CCCCN2)c(Cl)c1
InChIInChI=1S/C16H21Cl2FN2/c17-12-8-10(19)9-13(18)16(12)21-15-6-3-4-11(15)14-5-1-2-7-20-14/h8-9,11,14-15,20-21H,1-7H2
InChIKeyADUDMLPQCAFZIX-UHFFFAOYSA-N
XLogP4.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-1-(4-fluorobenzyl)piperidin-4-amine
CID 7370781
N-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 11680788
N-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine
CID 59613185
(3S,5R)-1-(2,6-dichlorophenyl)-5-[(2,4-difluorophenyl)methyl]piperidin-3-amine
CID 141067642
N-(3-chloro-4-fluorophenyl)-2-piperidin-4-ylpiperidin-4-amine
CID 173310359
(7E,9S)-N-(2-chloro-6-fluorophenyl)-7-ethylidene-3,9,10-trimethyl-4,5,6,8,9,10-hexahydrotriazecin-6-amine
CID 173986291
2-(3-{2-[3-(2,6-Dichlorophenyl-amino)propylamino]ethylamino}propyl)benzene-1,2-diamine
CID 129743702
N-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine
CID 3968538
N-(2-chlorophenyl)-1-[(2-fluorophenyl)methyl]piperidin-4-amine
CID 4672576
N-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-amine
CID 7370780
2,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43093374
2-chloro-4-fluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 43150480

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline (CID 83078172) is 2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline is Fc1cc(Cl)c(NC2CCCC2C2CCCCN2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
The InChIKey is ADUDMLPQCAFZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2FN2/c17-12-8-10(19)9-13(18)16(12)21-15-6-3-4-11(15)14-5-1-2-7-20-14/h8-9,11,14-15,20-21H,1-7H2.
What are the key properties of 2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline?
2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline has a molecular weight of 331.26 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-(2-piperidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 83078172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).