7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole

C16H22N2O — CID 84637367

IUPAC7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole
SMILESCOc1cc(C)cc2c(CC3CCCCN3)c[nH]c12
InChIInChI=1S/C16H22N2O/c1-11-7-14-12(9-13-5-3-4-6-17-13)10-18-16(14)15(8-11)19-2/h7-8,10,13,17-18H,3-6,9H2,1-2H3
InChIKeyTVFNAPLLEHTRDQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.17
Rot. Bonds3

About 7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole

7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole (PubChem CID 84637367) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole.

Molecular Properties

Compound Name7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole
PubChem CID84637367
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole
SMILESCOc1cc(C)cc2c(CC3CCCCN3)c[nH]c12
InChIInChI=1S/C16H22N2O/c1-11-7-14-12(9-13-5-3-4-6-17-13)10-18-16(14)15(8-11)19-2/h7-8,10,13,17-18H,3-6,9H2,1-2H3
InChIKeyTVFNAPLLEHTRDQ-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole
CID 117399744
2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117343303
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
2-[(2,5-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355169
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117448266
2-methoxy-3,4-dimethyl-5-(piperidin-2-ylmethyl)phenol
CID 117377144
2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117413167

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole?
The IUPAC name of 7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole (CID 84637367) is 7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole.
What is the SMILES notation for 7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole?
The canonical SMILES for 7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole is COc1cc(C)cc2c(CC3CCCCN3)c[nH]c12.
What is the InChIKey of 7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole?
The InChIKey is TVFNAPLLEHTRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-7-14-12(9-13-5-3-4-6-17-13)10-18-16(14)15(8-11)19-2/h7-8,10,13,17-18H,3-6,9H2,1-2H3.
What are the key properties of 7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole?
7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole has a molecular weight of 258.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole is sourced from PubChem (CID 84637367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).