N-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine

C13H18ClFN2 — CID 59613185

IUPACN-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine
SMILESCc1cc(F)c(NC2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C13H18ClFN2/c1-9-7-11(14)13(12(15)8-9)16-10-3-5-17(2)6-4-10/h7-8,10,16H,3-6H2,1-2H3
InChIKeyLOKCYJCSZDZQGV-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.29
Rot. Bonds2

About N-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine

N-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine (PubChem CID 59613185) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is N-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine
PubChem CID59613185
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC NameN-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine
SMILESCc1cc(F)c(NC2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C13H18ClFN2/c1-9-7-11(14)13(12(15)8-9)16-10-3-5-17(2)6-4-10/h7-8,10,16H,3-6H2,1-2H3
InChIKeyLOKCYJCSZDZQGV-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine (CID 59613185) is N-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine is Cc1cc(F)c(NC2CCN(C)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine?
The InChIKey is LOKCYJCSZDZQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-9-7-11(14)13(12(15)8-9)16-10-3-5-17(2)6-4-10/h7-8,10,16H,3-6H2,1-2H3.
What are the key properties of N-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine?
N-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine has a molecular weight of 256.75 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluoro-4-methylphenyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 59613185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).