6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

C15H17ClN2 — CID 84638446

IUPAC6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCc1c(C2=CCNCC2)c2ccc(Cl)cc2n1C
InChIInChI=1S/C15H17ClN2/c1-10-15(11-5-7-17-8-6-11)13-4-3-12(16)9-14(13)18(10)2/h3-5,9,17H,6-8H2,1-2H3
InChIKeyPDCBAXLDYJTVDS-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.52
Rot. Bonds1

About 6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (PubChem CID 84638446) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.

Molecular Properties

Compound Name6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
PubChem CID84638446
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCc1c(C2=CCNCC2)c2ccc(Cl)cc2n1C
InChIInChI=1S/C15H17ClN2/c1-10-15(11-5-7-17-8-6-11)13-4-3-12(16)9-14(13)18(10)2/h3-5,9,17H,6-8H2,1-2H3
InChIKeyPDCBAXLDYJTVDS-UHFFFAOYSA-N
XLogP3.52
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The IUPAC name of 6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (CID 84638446) is 6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.
What is the SMILES notation for 6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The canonical SMILES for 6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is Cc1c(C2=CCNCC2)c2ccc(Cl)cc2n1C.
What is the InChIKey of 6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The InChIKey is PDCBAXLDYJTVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-10-15(11-5-7-17-8-6-11)13-4-3-12(16)9-14(13)18(10)2/h3-5,9,17H,6-8H2,1-2H3.
What are the key properties of 6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole has a molecular weight of 260.77 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is sourced from PubChem (CID 84638446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).