2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline

C12H17ClN2O — CID 104835034

IUPAC2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline
SMILESCN1CCC(Oc2cccc(Cl)c2N)CC1
InChIInChI=1S/C12H17ClN2O/c1-15-7-5-9(6-8-15)16-11-4-2-3-10(13)12(11)14/h2-4,9H,5-8,14H2,1H3
InChIKeyGTDOOBCDFNKFOJ-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.40
Rot. Bonds2

About 2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline

2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline (PubChem CID 104835034) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline.

Molecular Properties

Compound Name2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline
PubChem CID104835034
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline
SMILESCN1CCC(Oc2cccc(Cl)c2N)CC1
InChIInChI=1S/C12H17ClN2O/c1-15-7-5-9(6-8-15)16-11-4-2-3-10(13)12(11)14/h2-4,9H,5-8,14H2,1H3
InChIKeyGTDOOBCDFNKFOJ-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1-methylpiperidin-4-yl) 2-amino-3-chlorobenzoate
CID 113333484
2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline
CID 104835060
3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride
CID 117045727
1-[3-chloro-4-(1-methylpiperidin-4-yl)oxyphenyl]ethanamine
CID 62910695
1-methyl-4-(1-methylpiperidin-4-yl)oxyindole
CID 126952178
4-chloro-3-[(3R)-1-methylpyrrolidin-3-yl]oxyaniline
CID 46942138
2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185
4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine
CID 177191064
2-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 104835031
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentan-1-amine
CID 117438963
2-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxyaniline
CID 166141504
1,2-dichloro-3-cyclobutyloxybenzene
CID 130038402

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline?
The IUPAC name of 2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline (CID 104835034) is 2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline.
What is the SMILES notation for 2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline?
The canonical SMILES for 2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline is CN1CCC(Oc2cccc(Cl)c2N)CC1.
What is the InChIKey of 2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline?
The InChIKey is GTDOOBCDFNKFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-15-7-5-9(6-8-15)16-11-4-2-3-10(13)12(11)14/h2-4,9H,5-8,14H2,1H3.
What are the key properties of 2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline?
2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline has a molecular weight of 240.73 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline is sourced from PubChem (CID 104835034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).