3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline

C13H18Cl2N2 — CID 106890304

IUPAC3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline
SMILESCC1CCN(c2c(Cl)cc(N)cc2Cl)C(C)C1
InChIInChI=1S/C13H18Cl2N2/c1-8-3-4-17(9(2)5-8)13-11(14)6-10(16)7-12(13)15/h6-9H,3-5,16H2,1-2H3
InChIKeyCLKYROHVVIAQQW-UHFFFAOYSA-N
MW273.21 g/mol
LogP4.20
Rot. Bonds1

About 3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline

3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline (PubChem CID 106890304) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline
PubChem CID106890304
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline
SMILESCC1CCN(c2c(Cl)cc(N)cc2Cl)C(C)C1
InChIInChI=1S/C13H18Cl2N2/c1-8-3-4-17(9(2)5-8)13-11(14)6-10(16)7-12(13)15/h6-9H,3-5,16H2,1-2H3
InChIKeyCLKYROHVVIAQQW-UHFFFAOYSA-N
XLogP4.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 54.20
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-6-(2,4-dimethylpiperidin-1-yl)pyridin-4-amine
CID 104924418
3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline
CID 106890449
(5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 107185001
3-chloro-5-methoxy-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 94671621
[5-chloro-6-(2,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62330220
5-amino-3-chloro-2-(2-methylpiperidin-1-yl)benzamide
CID 107192408
2-chloro-4-(2,4-dimethylpiperidin-1-yl)benzenecarbothioamide
CID 62948645
5-amino-3-chloro-2-(4-methylpiperidin-1-yl)benzamide
CID 107192335
[2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine
CID 55134862
3-(2,4-dimethylpiperidin-1-yl)-5-propoxyaniline
CID 80739316
2-chloro-4-(2,4-dimethylpiperidin-1-yl)benzoic acid
CID 62946232
3-chloro-5-(chloromethyl)-2-(2,4-dimethylpiperidin-1-yl)pyridine
CID 62331827

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline?
The IUPAC name of 3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline (CID 106890304) is 3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline.
What is the SMILES notation for 3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline?
The canonical SMILES for 3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline is CC1CCN(c2c(Cl)cc(N)cc2Cl)C(C)C1.
What is the InChIKey of 3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline?
The InChIKey is CLKYROHVVIAQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-8-3-4-17(9(2)5-8)13-11(14)6-10(16)7-12(13)15/h6-9H,3-5,16H2,1-2H3.
What are the key properties of 3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline?
3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline has a molecular weight of 273.21 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline is sourced from PubChem (CID 106890304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).