2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole

C17H24N2 — CID 84636243

IUPAC2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole
SMILESCc1ccc2c(CC3CCCNC3)c(C)[nH]c2c1C
InChIInChI=1S/C17H24N2/c1-11-6-7-15-16(9-14-5-4-8-18-10-14)13(3)19-17(15)12(11)2/h6-7,14,18-19H,4-5,8-10H2,1-3H3
InChIKeyGCOQXEGSKRWELL-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.64
Rot. Bonds2

About 2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole

2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole (PubChem CID 84636243) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole.

Molecular Properties

Compound Name2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole
PubChem CID84636243
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole
SMILESCc1ccc2c(CC3CCCNC3)c(C)[nH]c2c1C
InChIInChI=1S/C17H24N2/c1-11-6-7-15-16(9-14-5-4-8-18-10-14)13(3)19-17(15)12(11)2/h6-7,14,18-19H,4-5,8-10H2,1-3H3
InChIKeyGCOQXEGSKRWELL-UHFFFAOYSA-N
XLogP3.64
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84644930
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
7-chloro-2-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84633339
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole
CID 117358368
N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 96679083
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine
CID 116925658
3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
2,4,7-trimethyl-3-(pyrrolidin-2-ylmethyl)-1H-indole
CID 84630578
2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211299
2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
CID 117117997

Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole?
The IUPAC name of 2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole (CID 84636243) is 2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole.
What is the SMILES notation for 2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole?
The canonical SMILES for 2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole is Cc1ccc2c(CC3CCCNC3)c(C)[nH]c2c1C.
What is the InChIKey of 2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole?
The InChIKey is GCOQXEGSKRWELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-11-6-7-15-16(9-14-5-4-8-18-10-14)13(3)19-17(15)12(11)2/h6-7,14,18-19H,4-5,8-10H2,1-3H3.
What are the key properties of 2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole?
2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole has a molecular weight of 256.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole is sourced from PubChem (CID 84636243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).