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

C14H16Cl2N2 — CID 56972198

IUPAC5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;hydrochloride
SMILESCc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1.Cl
InChIInChI=1S/C14H15ClN2.ClH/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;1H
InChIKeyWWSNDUWIZDYGIQ-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.93
Rot. Bonds1

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

5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;hydrochloride (PubChem CID 56972198) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;hydrochloride
PubChem CID56972198
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;hydrochloride
SMILESCc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1.Cl
InChIInChI=1S/C14H15ClN2.ClH/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;1H
InChIKeyWWSNDUWIZDYGIQ-UHFFFAOYSA-N
XLogP3.93
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydro-beta-carboline
CID 107838
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
5-Chlorotryptamine
CID 77379
ST-1936
CID 9921064
5-Chloroindole
CID 87110
3-((Dimethylamino)methyl)-2-methylindole
CID 181513
3H-Pyrido(3,4-b)indole, 4,9-dihydro-
CID 145772
2-methyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole
CID 97424
N-Ethyltryptamine
CID 6092
5-Chloro-alphamt
CID 12833

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;hydrochloride?
The IUPAC name of 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;hydrochloride (CID 56972198) is 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;hydrochloride.
What is the SMILES notation for 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;hydrochloride?
The canonical SMILES for 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;hydrochloride is Cc1[nH]c2ccc(Cl)cc2c1C1=CCNCC1.Cl.
What is the InChIKey of 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;hydrochloride?
The InChIKey is WWSNDUWIZDYGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2.ClH/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;1H.
What are the key properties of 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;hydrochloride?
5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;hydrochloride has a molecular weight of 283.20 g/mol, XLogP of 3.93, 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;hydrochloride is sourced from PubChem (CID 56972198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).