N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine

C13H18Cl2N2 — CID 43215915

IUPACN-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H18Cl2N2/c1-17-7-5-10(6-8-17)16-9-11-12(14)3-2-4-13(11)15/h2-4,10,16H,5-9H2,1H3
InChIKeyQSKKOPCUQDFZIK-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.18
Rot. Bonds3

About N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine

N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine (PubChem CID 43215915) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
PubChem CID43215915
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(NCc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H18Cl2N2/c1-17-7-5-10(6-8-17)16-9-11-12(14)3-2-4-13(11)15/h2-4,10,16H,5-9H2,1H3
InChIKeyQSKKOPCUQDFZIK-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434750
N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462296
1-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434834
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine
CID 43280283
N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine
CID 66519808
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 23931096
2-chloro-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 112554706
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234137
N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 172648451

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine (CID 43215915) is N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine is CN1CCC(NCc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is QSKKOPCUQDFZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-17-7-5-10(6-8-17)16-9-11-12(14)3-2-4-13(11)15/h2-4,10,16H,5-9H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine?
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 273.21 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 43215915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).