2,6-dichloro-N-(piperidin-2-ylmethyl)aniline

C12H16Cl2N2 — CID 106634051

IUPAC2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
SMILESClc1cccc(Cl)c1NCC1CCCCN1
InChIInChI=1S/C12H16Cl2N2/c13-10-5-3-6-11(14)12(10)16-8-9-4-1-2-7-15-9/h3,5-6,9,15-16H,1-2,4,7-8H2
InChIKeyUWJQIFFFQIRFJH-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.55
Rot. Bonds3

About 2,6-dichloro-N-(piperidin-2-ylmethyl)aniline

2,6-dichloro-N-(piperidin-2-ylmethyl)aniline (PubChem CID 106634051) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 2,6-dichloro-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
PubChem CID106634051
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
SMILESClc1cccc(Cl)c1NCC1CCCCN1
InChIInChI=1S/C12H16Cl2N2/c13-10-5-3-6-11(14)12(10)16-8-9-4-1-2-7-15-9/h3,5-6,9,15-16H,1-2,4,7-8H2
InChIKeyUWJQIFFFQIRFJH-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline
CID 106633086
2-chloro-6-(piperidin-2-ylmethylamino)benzonitrile
CID 62497677
N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine
CID 106633191
2,6-dichloro-N-(cyclopropylmethyl)aniline
CID 13174436
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070
N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 66256676
(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
CID 102820117
3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 97164042
2,3-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974073
2-[2-(2-chlorophenyl)sulfonylethyl]piperidine
CID 112741660
2-[(2-bromo-6-chlorophenyl)methyl]piperidine
CID 117466290

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of 2,6-dichloro-N-(piperidin-2-ylmethyl)aniline (CID 106634051) is 2,6-dichloro-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(piperidin-2-ylmethyl)aniline is Clc1cccc(Cl)c1NCC1CCCCN1.
What is the InChIKey of 2,6-dichloro-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is UWJQIFFFQIRFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c13-10-5-3-6-11(14)12(10)16-8-9-4-1-2-7-15-9/h3,5-6,9,15-16H,1-2,4,7-8H2.
What are the key properties of 2,6-dichloro-N-(piperidin-2-ylmethyl)aniline?
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline has a molecular weight of 259.18 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 106634051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).