2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole

C16H22N2O — CID 82300707

IUPAC2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole
SMILESCc1[nH]c2ccccc2c1C(C)OC1CCNCC1
InChIInChI=1S/C16H22N2O/c1-11-16(14-5-3-4-6-15(14)18-11)12(2)19-13-7-9-17-10-8-13/h3-6,12-13,17-18H,7-10H2,1-2H3
InChIKeyPAJZHAIINPRQEU-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.31
Rot. Bonds3

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

2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole (PubChem CID 82300707) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole.

Molecular Properties

Compound Name2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole
PubChem CID82300707
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole
SMILESCc1[nH]c2ccccc2c1C(C)OC1CCNCC1
InChIInChI=1S/C16H22N2O/c1-11-16(14-5-3-4-6-15(14)18-11)12(2)19-13-7-9-17-10-8-13/h3-6,12-13,17-18H,7-10H2,1-2H3
InChIKeyPAJZHAIINPRQEU-UHFFFAOYSA-N
XLogP3.31
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol
CID 43146530
3-(1-piperidin-4-yloxyethyl)-1H-indole
CID 82294412
2-methyl-3-(1-phenoxyethyl)-1H-indole
CID 67859918
2-(1-piperidin-4-yloxyethyl)-3H-imidazo[4,5-c]quinoline
CID 123943298
2-(1-piperidin-4-yloxyethyl)pyridine
CID 71637942
(2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol
CID 64868312
2-(cyclopropylamino)-1-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 82294420
3-(azepan-4-yl)-2-methyl-1H-indole
CID 82288280
1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine
CID 82289370
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
[4-[2-amino-1-(2-methyl-1H-indol-3-yl)ethyl]cyclohexyl]methanol
CID 83976649
2-methyl-3-[(R)-(4-methylphenyl)-(4-methylpiperidin-1-ium-1-yl)methyl]-1H-indole
CID 7165575

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole?
The IUPAC name of 2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole (CID 82300707) is 2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole.
What is the SMILES notation for 2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole?
The canonical SMILES for 2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole is Cc1[nH]c2ccccc2c1C(C)OC1CCNCC1.
What is the InChIKey of 2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole?
The InChIKey is PAJZHAIINPRQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-16(14-5-3-4-6-15(14)18-11)12(2)19-13-7-9-17-10-8-13/h3-6,12-13,17-18H,7-10H2,1-2H3.
What are the key properties of 2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole?
2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole has a molecular weight of 258.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole is sourced from PubChem (CID 82300707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).