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

C16H22N2 — CID 117358368

IUPAC2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole
SMILESCc1[nH]c2cc(CC3CCCNC3)ccc2c1C
InChIInChI=1S/C16H22N2/c1-11-12(2)18-16-9-13(5-6-15(11)16)8-14-4-3-7-17-10-14/h5-6,9,14,17-18H,3-4,7-8,10H2,1-2H3
InChIKeyXQEJNKAJNYIHCU-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.33
Rot. Bonds2

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

2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole (PubChem CID 117358368) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole.

Molecular Properties

Compound Name2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole
PubChem CID117358368
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole
SMILESCc1[nH]c2cc(CC3CCCNC3)ccc2c1C
InChIInChI=1S/C16H22N2/c1-11-12(2)18-16-9-13(5-6-15(11)16)8-14-4-3-7-17-10-14/h5-6,9,14,17-18H,3-4,7-8,10H2,1-2H3
InChIKeyXQEJNKAJNYIHCU-UHFFFAOYSA-N
XLogP3.33
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651
3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 116997535
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
5-bromo-2-methyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84644930
2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole
CID 117391858
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84636243
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
2-amino-4-(piperidin-3-ylmethyl)phenol
CID 117117980

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole?
The IUPAC name of 2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole (CID 117358368) is 2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole.
What is the SMILES notation for 2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole?
The canonical SMILES for 2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole is Cc1[nH]c2cc(CC3CCCNC3)ccc2c1C.
What is the InChIKey of 2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole?
The InChIKey is XQEJNKAJNYIHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-12(2)18-16-9-13(5-6-15(11)16)8-14-4-3-7-17-10-14/h5-6,9,14,17-18H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole?
2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole has a molecular weight of 242.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole is sourced from PubChem (CID 117358368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).