4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole

C16H22N2O — CID 117399776

IUPAC4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole
SMILESCOc1c(CC2CCNCC2)ccc2c1ccn2C
InChIInChI=1S/C16H22N2O/c1-18-10-7-14-15(18)4-3-13(16(14)19-2)11-12-5-8-17-9-6-12/h3-4,7,10,12,17H,5-6,8-9,11H2,1-2H3
InChIKeyRCVNYALIDCAERV-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.73
Rot. Bonds3

About 4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole

4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole (PubChem CID 117399776) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole.

Molecular Properties

Compound Name4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole
PubChem CID117399776
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole
SMILESCOc1c(CC2CCNCC2)ccc2c1ccn2C
InChIInChI=1S/C16H22N2O/c1-18-10-7-14-15(18)4-3-13(16(14)19-2)11-12-5-8-17-9-6-12/h3-4,7,10,12,17H,5-6,8-9,11H2,1-2H3
InChIKeyRCVNYALIDCAERV-UHFFFAOYSA-N
XLogP2.73
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-methyl-5-piperidin-4-ylindole
CID 82622478
O-[2-(4-methoxy-1-methylindol-5-yl)ethyl]hydroxylamine
CID 117314447
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine
CID 117413527
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
CID 117427876
4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117469472
4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine
CID 117451931
1-methyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridine
CID 84692955
4-[(4-chloro-2-methoxyphenyl)methyl]piperidine
CID 84800099
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
CID 84808890
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole?
The IUPAC name of 4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole (CID 117399776) is 4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole.
What is the SMILES notation for 4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole?
The canonical SMILES for 4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole is COc1c(CC2CCNCC2)ccc2c1ccn2C.
What is the InChIKey of 4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole?
The InChIKey is RCVNYALIDCAERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18-10-7-14-15(18)4-3-13(16(14)19-2)11-12-5-8-17-9-6-12/h3-4,7,10,12,17H,5-6,8-9,11H2,1-2H3.
What are the key properties of 4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole?
4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole has a molecular weight of 258.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-5-(piperidin-4-ylmethyl)indole is sourced from PubChem (CID 117399776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).