N-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine

C14H20ClFN2 — CID 43665574

IUPACN-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H20ClFN2/c1-9-8-18(3)10(2)6-14(9)17-13-5-4-11(16)7-12(13)15/h4-5,7,9-10,14,17H,6,8H2,1-3H3
InChIKeyANQHNZXRCQBLGY-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.62
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine

N-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine (PubChem CID 43665574) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
PubChem CID43665574
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H20ClFN2/c1-9-8-18(3)10(2)6-14(9)17-13-5-4-11(16)7-12(13)15/h4-5,7,9-10,14,17H,6,8H2,1-3H3
InChIKeyANQHNZXRCQBLGY-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine (CID 43665574) is N-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine is CC1CN(C)C(C)CC1Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is ANQHNZXRCQBLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-9-8-18(3)10(2)6-14(9)17-13-5-4-11(16)7-12(13)15/h4-5,7,9-10,14,17H,6,8H2,1-3H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine?
N-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 270.78 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 43665574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).