4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole

C15H20N2O — CID 117363152

IUPAC4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole
SMILESCOc1c(CC2CCCNC2)ccc2[nH]ccc12
InChIInChI=1S/C15H20N2O/c1-18-15-12(9-11-3-2-7-16-10-11)4-5-14-13(15)6-8-17-14/h4-6,8,11,16-17H,2-3,7,9-10H2,1H3
InChIKeyXIIUXUQYHUSBMF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.72
Rot. Bonds3

About 4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole

4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole (PubChem CID 117363152) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole.

Molecular Properties

Compound Name4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole
PubChem CID117363152
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole
SMILESCOc1c(CC2CCCNC2)ccc2[nH]ccc12
InChIInChI=1S/C15H20N2O/c1-18-15-12(9-11-3-2-7-16-10-11)4-5-14-13(15)6-8-17-14/h4-6,8,11,16-17H,2-3,7,9-10H2,1H3
InChIKeyXIIUXUQYHUSBMF-UHFFFAOYSA-N
XLogP2.72
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(piperidin-3-ylmethyl)-1H-indole
CID 84783545
3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810047
3-[[2,4-dimethoxy-3-(methoxymethyl)phenyl]methyl]piperidine
CID 117448288
1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117411138
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
5-fluoro-6-(piperidin-3-ylmethyl)-1H-indole
CID 115003350
2-methoxy-6-(piperidin-3-ylmethyl)-3-(trifluoromethyl)phenol
CID 117467242
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine
CID 117444661
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117456363

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole?
The IUPAC name of 4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole (CID 117363152) is 4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole.
What is the SMILES notation for 4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole?
The canonical SMILES for 4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole is COc1c(CC2CCCNC2)ccc2[nH]ccc12.
What is the InChIKey of 4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole?
The InChIKey is XIIUXUQYHUSBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-18-15-12(9-11-3-2-7-16-10-11)4-5-14-13(15)6-8-17-14/h4-6,8,11,16-17H,2-3,7,9-10H2,1H3.
What are the key properties of 4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole?
4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole has a molecular weight of 244.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole is sourced from PubChem (CID 117363152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).