2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline

C14H21ClN2 — CID 113334378

IUPAC2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline
SMILESCc1cc(N)c(Cl)cc1N1CC(C)CCC1C
InChIInChI=1S/C14H21ClN2/c1-9-4-5-11(3)17(8-9)14-7-12(15)13(16)6-10(14)2/h6-7,9,11H,4-5,8,16H2,1-3H3
InChIKeyBWPJPTPCROEBRJ-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.86
Rot. Bonds1

About 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline

2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline (PubChem CID 113334378) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline.

Molecular Properties

Compound Name2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline
PubChem CID113334378
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline
SMILESCc1cc(N)c(Cl)cc1N1CC(C)CCC1C
InChIInChI=1S/C14H21ClN2/c1-9-4-5-11(3)17(8-9)14-7-12(15)13(16)6-10(14)2/h6-7,9,11H,4-5,8,16H2,1-3H3
InChIKeyBWPJPTPCROEBRJ-UHFFFAOYSA-N
XLogP3.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-methyl-4-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592004
1-(4-amino-5-chloro-2-methylphenyl)-3-methylpiperidin-4-ol
CID 114677683
2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline
CID 102955583
4-(azocan-1-yl)-2-chloro-5-methylaniline
CID 113334138
4-(4-tert-butylpiperidin-1-yl)-2-chloro-5-methylaniline
CID 115554840
2-(2,5-dimethylpiperidin-1-yl)-6-methylpyridin-3-amine
CID 81132345
2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine
CID 113334150
1-[2-(bromomethyl)-4-chlorophenyl]-2,5-dimethylpiperidine
CID 107084249
2-chloro-4,5-dimethylaniline
CID 53416768
5-chloro-6-(2,5-dimethylpiperidin-1-yl)-1H-indole-2,3-dione
CID 79336164
6-(2,5-dimethylpiperidin-1-yl)pyridine-2,3-diamine
CID 79826265
2-chloro-4-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methylaniline
CID 113334206

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline?
The IUPAC name of 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline (CID 113334378) is 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline.
What is the SMILES notation for 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline?
The canonical SMILES for 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline is Cc1cc(N)c(Cl)cc1N1CC(C)CCC1C.
What is the InChIKey of 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline?
The InChIKey is BWPJPTPCROEBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-9-4-5-11(3)17(8-9)14-7-12(15)13(16)6-10(14)2/h6-7,9,11H,4-5,8,16H2,1-3H3.
What are the key properties of 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline?
2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline has a molecular weight of 252.79 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,5-dimethylpiperidin-1-yl)-5-methylaniline is sourced from PubChem (CID 113334378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).