5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline

C13H19ClN2 — CID 28605520

IUPAC5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline
SMILESC[C@@H]1C[C@@H](C)CN(c2ccc(Cl)cc2N)C1
InChIInChI=1S/C13H19ClN2/c1-9-5-10(2)8-16(7-9)13-4-3-11(14)6-12(13)15/h3-4,6,9-10H,5,7-8,15H2,1-2H3/t9-,10-/m1/s1
InChIKeyIDYJZAGFTZPJMB-NXEZZACHSA-N
MW238.76 g/mol
LogP3.40
Rot. Bonds1

About 5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline

5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline (PubChem CID 28605520) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline
PubChem CID28605520
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline
SMILESC[C@@H]1C[C@@H](C)CN(c2ccc(Cl)cc2N)C1
InChIInChI=1S/C13H19ClN2/c1-9-5-10(2)8-16(7-9)13-4-3-11(14)6-12(13)15/h3-4,6,9-10H,5,7-8,15H2,1-2H3/t9-,10-/m1/s1
InChIKeyIDYJZAGFTZPJMB-NXEZZACHSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.40
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

5-chloro-2-(3,4,5-trimethylpiperazin-1-yl)aniline
CID 114543007
5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
CID 28820003
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloroaniline
CID 115558894
5-chloro-2-(3,5-dimethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76944937
5-chloro-2-(2-methylmorpholin-4-yl)aniline
CID 16772686
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-methylaniline
CID 97051035
1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine
CID 10778059
5-chloro-2-(2-methyl-1,4-oxazepan-4-yl)aniline
CID 62987436
2-(3,5-dimethylpiperidin-1-yl)-5-fluoro-4-methoxyaniline
CID 63597631
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloroaniline
CID 43620175
1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol
CID 106667619
3-amino-4-(3-methylazetidin-1-yl)benzoic acid
CID 79688779

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline?
The IUPAC name of 5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline (CID 28605520) is 5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline.
What is the SMILES notation for 5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline?
The canonical SMILES for 5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline is C[C@@H]1C[C@@H](C)CN(c2ccc(Cl)cc2N)C1.
What is the InChIKey of 5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline?
The InChIKey is IDYJZAGFTZPJMB-NXEZZACHSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-9-5-10(2)8-16(7-9)13-4-3-11(14)6-12(13)15/h3-4,6,9-10H,5,7-8,15H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of 5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline?
5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline has a molecular weight of 238.76 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline is sourced from PubChem (CID 28605520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).