2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole

C21H25N3 — CID 164553706

IUPAC2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole
SMILESCc1cc(-c2[nH]c3cc(C4CCCNC4)ccc3c2C)cc(C)n1
InChIInChI=1S/C21H25N3/c1-13-9-18(10-14(2)23-13)21-15(3)19-7-6-16(11-20(19)24-21)17-5-4-8-22-12-17/h6-7,9-11,17,22,24H,4-5,8,12H2,1-3H3
InChIKeyBAHKBUXFNMEODT-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.62
Rot. Bonds2

About 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole

2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole (PubChem CID 164553706) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole
PubChem CID164553706
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole
SMILESCc1cc(-c2[nH]c3cc(C4CCCNC4)ccc3c2C)cc(C)n1
InChIInChI=1S/C21H25N3/c1-13-9-18(10-14(2)23-13)21-15(3)19-7-6-16(11-20(19)24-21)17-5-4-8-22-12-17/h6-7,9-11,17,22,24H,4-5,8,12H2,1-3H3
InChIKeyBAHKBUXFNMEODT-UHFFFAOYSA-N
XLogP4.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethyl-4-pyridinyl)-3-methyl-N-[(3S)-piperidin-3-yl]-1H-indole-6-carboxamide
CID 164553821
2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-5-pyrrolidin-3-yl-1H-indole
CID 151132839
2-(2,6-dimethyl-4-pyridinyl)-6-piperidin-4-yl-3-propan-2-yl-1H-indole;ethane
CID 164553568
3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole
CID 134329293
3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine
CID 117366317
2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid
CID 165354987
2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole
CID 155225995
3-[6-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-indol-2-yl]-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 164553956
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
3-(3-bromo-4-methylphenyl)piperidine
CID 82381644
2-(difluoromethyl)-6-methyl-4-piperidin-3-ylpyridine
CID 146286074
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole (CID 164553706) is 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole is Cc1cc(-c2[nH]c3cc(C4CCCNC4)ccc3c2C)cc(C)n1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole?
The InChIKey is BAHKBUXFNMEODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-13-9-18(10-14(2)23-13)21-15(3)19-7-6-16(11-20(19)24-21)17-5-4-8-22-12-17/h6-7,9-11,17,22,24H,4-5,8,12H2,1-3H3.
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole?
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole has a molecular weight of 319.45 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole is sourced from PubChem (CID 164553706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).