N-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine

C15H22ClFN2 — CID 11680788

IUPACN-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(Nc2cc(F)ccc2Cl)CC(C)(C)N1
InChIInChI=1S/C15H22ClFN2/c1-14(2)8-11(9-15(3,4)19-14)18-13-7-10(17)5-6-12(13)16/h5-7,11,18-19H,8-9H2,1-4H3
InChIKeyJZERIWHTWQKHKP-UHFFFAOYSA-N
MW284.81 g/mol
LogP4.20
Rot. Bonds2

About N-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine

N-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 11680788) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID11680788
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC NameN-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(Nc2cc(F)ccc2Cl)CC(C)(C)N1
InChIInChI=1S/C15H22ClFN2/c1-14(2)8-11(9-15(3,4)19-14)18-13-7-10(17)5-6-12(13)16/h5-7,11,18-19H,8-9H2,1-4H3
InChIKeyJZERIWHTWQKHKP-UHFFFAOYSA-N
XLogP4.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine (CID 11680788) is N-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine is CC1(C)CC(Nc2cc(F)ccc2Cl)CC(C)(C)N1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is JZERIWHTWQKHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-14(2)8-11(9-15(3,4)19-14)18-13-7-10(17)5-6-12(13)16/h5-7,11,18-19H,8-9H2,1-4H3.
What are the key properties of N-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine?
N-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 284.81 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 11680788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).