5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

C14H15ClN2 — CID 10131112

IUPAC5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESCc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1
InChIInChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
InChIKeyBPPGPYJBCVXILI-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.51
Rot. Bonds1

About 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (PubChem CID 10131112) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
PubChem CID10131112
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESCc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1
InChIInChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3
InChIKeyBPPGPYJBCVXILI-UHFFFAOYSA-N
XLogP3.51
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Skatole
CID 6736
Tryptamine
CID 1150
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Tetrahydro-beta-carboline
CID 107838
EX 527
CID 5113032
2-Methylindole
CID 7224
2,3-Dimethylindole
CID 7053
2-Methyl-1,2,3,4-tetrahydro-beta-carboline
CID 121896
4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indole
CID 160510
Tryptamine hydrochloride
CID 67652
Tryptaminium
CID 3985862

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The IUPAC name of 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (CID 10131112) is 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.
What is the SMILES notation for 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The canonical SMILES for 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1.
What is the InChIKey of 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The InChIKey is BPPGPYJBCVXILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9/h2-4,8,16-17H,5-7H2,1H3.
What are the key properties of 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole has a molecular weight of 246.74 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is sourced from PubChem (CID 10131112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).