3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline

C13H19ClN2 — CID 91677014

IUPAC3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline
SMILESCNc1ccc(N2CCCCC2C)c(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-10-5-3-4-8-16(10)13-7-6-11(15-2)9-12(13)14/h6-7,9-10,15H,3-5,8H2,1-2H3
InChIKeyXIAFLGZTSGGEFH-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.76
Rot. Bonds2

About 3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline

3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline (PubChem CID 91677014) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline
PubChem CID91677014
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline
SMILESCNc1ccc(N2CCCCC2C)c(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-10-5-3-4-8-16(10)13-7-6-11(15-2)9-12(13)14/h6-7,9-10,15H,3-5,8H2,1-2H3
InChIKeyXIAFLGZTSGGEFH-UHFFFAOYSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40787638
(2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine
CID 97103063
3-chloro-N-methyl-4-pyrrolidin-1-ylaniline
CID 91677052
1-[2-chloro-4-(chloromethyl)phenyl]-2-methylazepane
CID 81150934
(1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 55190288
N-[[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 81152195
dimethyl (E)-2-[3-chloro-4-(2-methylpiperidin-1-yl)anilino]but-2-enedioate
CID 168570701
prop-2-enyl 5-(methylamino)-2-(2-methylpiperidin-1-yl)benzoate
CID 91677253
prop-2-ynyl 5-(methylamino)-2-[(2R)-2-methylpiperidin-1-yl]benzoate
CID 100803716
5-chloro-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40788179
1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 62909542
3-chloro-N-methyl-2-(2-methylpiperidin-1-yl)aniline
CID 163241438

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline?
The IUPAC name of 3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline (CID 91677014) is 3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline.
What is the SMILES notation for 3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline?
The canonical SMILES for 3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline is CNc1ccc(N2CCCCC2C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline?
The InChIKey is XIAFLGZTSGGEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-5-3-4-8-16(10)13-7-6-11(15-2)9-12(13)14/h6-7,9-10,15H,3-5,8H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline?
3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline has a molecular weight of 238.76 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 91677014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).