2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline

C12H15Cl3N2 — CID 106633086

IUPAC2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline
SMILESClc1cc(Cl)c(NCC2CCCCN2)c(Cl)c1
InChIInChI=1S/C12H15Cl3N2/c13-8-5-10(14)12(11(15)6-8)17-7-9-3-1-2-4-16-9/h5-6,9,16-17H,1-4,7H2
InChIKeyJYZPFHXKLVXJAH-UHFFFAOYSA-N
MW293.62 g/mol
LogP4.20
Rot. Bonds3

About 2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline

2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline (PubChem CID 106633086) has the molecular formula C12H15Cl3N2 and a molecular weight of 293.62 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline
PubChem CID106633086
Molecular FormulaC12H15Cl3N2
Molecular Weight293.62 g/mol
Exact Mass292.03
IUPAC Name2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline
SMILESClc1cc(Cl)c(NCC2CCCCN2)c(Cl)c1
InChIInChI=1S/C12H15Cl3N2/c13-8-5-10(14)12(11(15)6-8)17-7-9-3-1-2-4-16-9/h5-6,9,16-17H,1-4,7H2
InChIKeyJYZPFHXKLVXJAH-UHFFFAOYSA-N
XLogP4.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.62
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
CID 106634051
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070
2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 106633355
6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine
CID 71639840
5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine
CID 106633191
2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208055
2,3,5,6-tetrafluoro-N-(pyrrolidin-2-ylmethyl)aniline
CID 107643785
4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 71638479
4-chloro-3-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106633380
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)aniline
CID 106632842
2-[methyl(pyrrolidin-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 106613623
methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate
CID 106633173

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of 2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline (CID 106633086) is 2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for 2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for 2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline is Clc1cc(Cl)c(NCC2CCCCN2)c(Cl)c1.
What is the InChIKey of 2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is JYZPFHXKLVXJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2/c13-8-5-10(14)12(11(15)6-8)17-7-9-3-1-2-4-16-9/h5-6,9,16-17H,1-4,7H2.
What are the key properties of 2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline?
2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline has a molecular weight of 293.62 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 106633086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).