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

C12H16Cl2N2 — CID 66519808

IUPACN-[(2,6-dichlorophenyl)methyl]piperidin-4-amine
SMILESClc1cccc(Cl)c1CNC1CCNCC1
InChIInChI=1S/C12H16Cl2N2/c13-11-2-1-3-12(14)10(11)8-16-9-4-6-15-7-5-9/h1-3,9,15-16H,4-8H2
InChIKeyCSZUUZAHVYGBQY-UHFFFAOYSA-N
MW259.18 g/mol
LogP2.84
Rot. Bonds3

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

N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine (PubChem CID 66519808) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]piperidin-4-amine
PubChem CID66519808
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC NameN-[(2,6-dichlorophenyl)methyl]piperidin-4-amine
SMILESClc1cccc(Cl)c1CNC1CCNCC1
InChIInChI=1S/C12H16Cl2N2/c13-11-2-1-3-12(14)10(11)8-16-9-4-6-15-7-5-9/h1-3,9,15-16H,4-8H2
InChIKeyCSZUUZAHVYGBQY-UHFFFAOYSA-N
XLogP2.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 66519955
N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 83307890
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine
CID 43280283
cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434750
N-[(2,6-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64741298
3-chloro-2-[[(1-oxothian-4-yl)amino]methyl]phenol
CID 104665764
3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 43281657
N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
CID 63805892
2,6-dichloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960503

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine (CID 66519808) is N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine is Clc1cccc(Cl)c1CNC1CCNCC1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine?
The InChIKey is CSZUUZAHVYGBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c13-11-2-1-3-12(14)10(11)8-16-9-4-6-15-7-5-9/h1-3,9,15-16H,4-8H2.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine?
N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine has a molecular weight of 259.18 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 66519808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).