2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline

C13H17Cl2FN2 — CID 83076576

IUPAC2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCN1CCC(CNc2c(Cl)cc(F)cc2Cl)CC1
InChIInChI=1S/C13H17Cl2FN2/c1-18-4-2-9(3-5-18)8-17-13-11(14)6-10(16)7-12(13)15/h6-7,9,17H,2-5,8H2,1H3
InChIKeyBNKSZNBNDNLSCQ-UHFFFAOYSA-N
MW291.20 g/mol
LogP3.89
Rot. Bonds3

About 2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline

2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline (PubChem CID 83076576) has the molecular formula C13H17Cl2FN2 and a molecular weight of 291.20 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
PubChem CID83076576
Molecular FormulaC13H17Cl2FN2
Molecular Weight291.20 g/mol
Exact Mass290.08
IUPAC Name2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCN1CCC(CNc2c(Cl)cc(F)cc2Cl)CC1
InChIInChI=1S/C13H17Cl2FN2/c1-18-4-2-9(3-5-18)8-17-13-11(14)6-10(16)7-12(13)15/h6-7,9,17H,2-5,8H2,1H3
InChIKeyBNKSZNBNDNLSCQ-UHFFFAOYSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline 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 2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline (CID 83076576) is 2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline is CN1CCC(CNc2c(Cl)cc(F)cc2Cl)CC1.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The InChIKey is BNKSZNBNDNLSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2FN2/c1-18-4-2-9(3-5-18)8-17-13-11(14)6-10(16)7-12(13)15/h6-7,9,17H,2-5,8H2,1H3.
What are the key properties of 2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline?
2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline has a molecular weight of 291.20 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 83076576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).