4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole

C16H22N2O — CID 71133239

IUPAC4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole
SMILESCOC1CCCN(Cc2cccc3[nH]c(C)cc23)C1
InChIInChI=1S/C16H22N2O/c1-12-9-15-13(5-3-7-16(15)17-12)10-18-8-4-6-14(11-18)19-2/h3,5,7,9,14,17H,4,6,8,10-11H2,1-2H3
InChIKeyGLTHSLNNIXFZAZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.09
Rot. Bonds3

About 4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole

4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole (PubChem CID 71133239) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole
PubChem CID71133239
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole
SMILESCOC1CCCN(Cc2cccc3[nH]c(C)cc23)C1
InChIInChI=1S/C16H22N2O/c1-12-9-15-13(5-3-7-16(15)17-12)10-18-8-4-6-14(11-18)19-2/h3,5,7,9,14,17H,4,6,8,10-11H2,1-2H3
InChIKeyGLTHSLNNIXFZAZ-UHFFFAOYSA-N
XLogP3.09
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
(3S)-1-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine
CID 97140770
2-[(3-methoxypiperidin-1-yl)methyl]-6-nitroaniline
CID 107351652
2-fluoro-3-[(3-methoxypiperidin-1-yl)methyl]benzonitrile
CID 103912132
[3-[(3-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 102956590
N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 102968090
4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one
CID 71137776
1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929
3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole
CID 71137778
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
(3R)-1-[(3-bromo-2-chlorophenyl)methyl]-3-methoxypyrrolidine
CID 172647800
2-fluoro-N'-hydroxy-3-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 107117521

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole?
The IUPAC name of 4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole (CID 71133239) is 4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole.
What is the SMILES notation for 4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole?
The canonical SMILES for 4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole is COC1CCCN(Cc2cccc3[nH]c(C)cc23)C1.
What is the InChIKey of 4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole?
The InChIKey is GLTHSLNNIXFZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-9-15-13(5-3-7-16(15)17-12)10-18-8-4-6-14(11-18)19-2/h3,5,7,9,14,17H,4,6,8,10-11H2,1-2H3.
What are the key properties of 4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole?
4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole has a molecular weight of 258.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole is sourced from PubChem (CID 71133239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).