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

C16H22N2O — CID 117399744

IUPAC7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole
SMILESCOc1cc(CC2CCCCN2)cc2c(C)c[nH]c12
InChIInChI=1S/C16H22N2O/c1-11-10-18-16-14(11)8-12(9-15(16)19-2)7-13-5-3-4-6-17-13/h8-10,13,17-18H,3-7H2,1-2H3
InChIKeyDQLNUOONQKZEPN-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.17
Rot. Bonds3

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

7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole (PubChem CID 117399744) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole.

Molecular Properties

Compound Name7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole
PubChem CID117399744
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole
SMILESCOc1cc(CC2CCCCN2)cc2c(C)c[nH]c12
InChIInChI=1S/C16H22N2O/c1-11-10-18-16-14(11)8-12(9-15(16)19-2)7-13-5-3-4-6-17-13/h8-10,13,17-18H,3-7H2,1-2H3
InChIKeyDQLNUOONQKZEPN-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-5-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84637367
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine
CID 117448273
2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117316517
2-methoxy-3-methyl-5-(piperidin-2-ylmethyl)phenol
CID 117342833
2-[[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117482277
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417638
2-(7-methoxy-3-methyl-1H-indol-5-yl)ethanamine
CID 96618492
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 117320360
2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
CID 117408287
2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117448266

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole?
The IUPAC name of 7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole (CID 117399744) is 7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole.
What is the SMILES notation for 7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole?
The canonical SMILES for 7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole is COc1cc(CC2CCCCN2)cc2c(C)c[nH]c12.
What is the InChIKey of 7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole?
The InChIKey is DQLNUOONQKZEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-10-18-16-14(11)8-12(9-15(16)19-2)7-13-5-3-4-6-17-13/h8-10,13,17-18H,3-7H2,1-2H3.
What are the key properties of 7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole?
7-methoxy-3-methyl-5-(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-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole is sourced from PubChem (CID 117399744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).