5-chloro-1,2-dimethyl-3-piperidin-2-ylindole

C15H19ClN2 — CID 82666551

IUPAC5-chloro-1,2-dimethyl-3-piperidin-2-ylindole
SMILESCc1c(C2CCCCN2)c2cc(Cl)ccc2n1C
InChIInChI=1S/C15H19ClN2/c1-10-15(13-5-3-4-8-17-13)12-9-11(16)6-7-14(12)18(10)2/h6-7,9,13,17H,3-5,8H2,1-2H3
InChIKeyBLUZAGUZISKNSD-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.95
Rot. Bonds1

About 5-chloro-1,2-dimethyl-3-piperidin-2-ylindole

5-chloro-1,2-dimethyl-3-piperidin-2-ylindole (PubChem CID 82666551) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 5-chloro-1,2-dimethyl-3-piperidin-2-ylindole.

Molecular Properties

Compound Name5-chloro-1,2-dimethyl-3-piperidin-2-ylindole
PubChem CID82666551
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name5-chloro-1,2-dimethyl-3-piperidin-2-ylindole
SMILESCc1c(C2CCCCN2)c2cc(Cl)ccc2n1C
InChIInChI=1S/C15H19ClN2/c1-10-15(13-5-3-4-8-17-13)12-9-11(16)6-7-14(12)18(10)2/h6-7,9,13,17H,3-5,8H2,1-2H3
InChIKeyBLUZAGUZISKNSD-UHFFFAOYSA-N
XLogP3.95
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-1,2-dimethylindol-3-yl)morpholine
CID 82667099
6-chloro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
CID 117262573
2-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole
CID 84632368
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
CID 66518682
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
2-(3-chloro-5-methylphenyl)piperidine
CID 84781097
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2-dimethyl-3-piperidin-2-ylindole?
The IUPAC name of 5-chloro-1,2-dimethyl-3-piperidin-2-ylindole (CID 82666551) is 5-chloro-1,2-dimethyl-3-piperidin-2-ylindole.
What is the SMILES notation for 5-chloro-1,2-dimethyl-3-piperidin-2-ylindole?
The canonical SMILES for 5-chloro-1,2-dimethyl-3-piperidin-2-ylindole is Cc1c(C2CCCCN2)c2cc(Cl)ccc2n1C.
What is the InChIKey of 5-chloro-1,2-dimethyl-3-piperidin-2-ylindole?
The InChIKey is BLUZAGUZISKNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-10-15(13-5-3-4-8-17-13)12-9-11(16)6-7-14(12)18(10)2/h6-7,9,13,17H,3-5,8H2,1-2H3.
What are the key properties of 5-chloro-1,2-dimethyl-3-piperidin-2-ylindole?
5-chloro-1,2-dimethyl-3-piperidin-2-ylindole has a molecular weight of 262.78 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2-dimethyl-3-piperidin-2-ylindole is sourced from PubChem (CID 82666551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).