6-methyl-2-(4-piperidin-1-ylphenyl)-3H-indole

C20H22N2 — CID 158814539

IUPAC6-methyl-2-(4-piperidin-1-ylphenyl)-3H-indole
SMILESCc1ccc2c(c1)N=C(c1ccc(N3CCCCC3)cc1)C2
InChIInChI=1S/C20H22N2/c1-15-5-6-17-14-20(21-19(17)13-15)16-7-9-18(10-8-16)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3
InChIKeyNQOBQVISDLEJMK-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.66
Rot. Bonds2

About 6-methyl-2-(4-piperidin-1-ylphenyl)-3H-indole

6-methyl-2-(4-piperidin-1-ylphenyl)-3H-indole (PubChem CID 158814539) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-methyl-2-(4-piperidin-1-ylphenyl)-3H-indole.

Molecular Properties

Compound Name6-methyl-2-(4-piperidin-1-ylphenyl)-3H-indole
PubChem CID158814539
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name6-methyl-2-(4-piperidin-1-ylphenyl)-3H-indole
SMILESCc1ccc2c(c1)N=C(c1ccc(N3CCCCC3)cc1)C2
InChIInChI=1S/C20H22N2/c1-15-5-6-17-14-20(21-19(17)13-15)16-7-9-18(10-8-16)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3
InChIKeyNQOBQVISDLEJMK-UHFFFAOYSA-N
XLogP4.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-[4-[(Z)-2-[4-(6-methyl-3H-indol-2-yl)phenyl]ethenyl]phenyl]-3H-indole
CID 174135571
2-(4-pyrrolidin-1-ylphenyl)-3H-pyrrolo[2,3-c]pyridine
CID 158254975
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449
2-(4-methylphenyl)-3H-indole-6-carbonitrile
CID 67596128
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
5,6-dichloro-2-[4-(4-ethylpiperazin-1-yl)phenyl]-3H-indole
CID 158550826
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene
CID 145031830
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
1-(2-chloro-4-pyridinyl)-4-(4-methylphenyl)-1,4-diazepane
CID 133359948
1,3-bis(4-methylphenyl)-1,3-diazinane
CID 22020050
6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid
CID 168514407

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-piperidin-1-ylphenyl)-3H-indole?
The IUPAC name of 6-methyl-2-(4-piperidin-1-ylphenyl)-3H-indole (CID 158814539) is 6-methyl-2-(4-piperidin-1-ylphenyl)-3H-indole.
What is the SMILES notation for 6-methyl-2-(4-piperidin-1-ylphenyl)-3H-indole?
The canonical SMILES for 6-methyl-2-(4-piperidin-1-ylphenyl)-3H-indole is Cc1ccc2c(c1)N=C(c1ccc(N3CCCCC3)cc1)C2.
What is the InChIKey of 6-methyl-2-(4-piperidin-1-ylphenyl)-3H-indole?
The InChIKey is NQOBQVISDLEJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-15-5-6-17-14-20(21-19(17)13-15)16-7-9-18(10-8-16)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3.
What are the key properties of 6-methyl-2-(4-piperidin-1-ylphenyl)-3H-indole?
6-methyl-2-(4-piperidin-1-ylphenyl)-3H-indole has a molecular weight of 290.41 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-piperidin-1-ylphenyl)-3H-indole is sourced from PubChem (CID 158814539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).