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

C15H20N2O — CID 82497673

IUPAC6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
SMILESCOc1ccc2c(CC3CCNCC3)c[nH]c2c1
InChIInChI=1S/C15H20N2O/c1-18-13-2-3-14-12(10-17-15(14)9-13)8-11-4-6-16-7-5-11/h2-3,9-11,16-17H,4-8H2,1H3
InChIKeyMEJAZYHBBDZRFX-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.72
Rot. Bonds3

About 6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole

6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole (PubChem CID 82497673) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole.

Molecular Properties

Compound Name6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
PubChem CID82497673
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
SMILESCOc1ccc2c(CC3CCNCC3)c[nH]c2c1
InChIInChI=1S/C15H20N2O/c1-18-13-2-3-14-12(10-17-15(14)9-13)8-11-4-6-16-7-5-11/h2-3,9-11,16-17H,4-8H2,1H3
InChIKeyMEJAZYHBBDZRFX-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

6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
CID 84637869
2-[(6-methoxy-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84630870
5-methoxy-7-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82500153
5-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82494836
4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine
CID 19837016
4,7-dimethoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 96680162
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
3-(6-methoxy-1H-indol-3-yl)propanenitrile
CID 82491461
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229
6-methoxy-3-(3-methylpentyl)-1H-indole
CID 156642145
5-methoxy-2-(pyrrolidin-3-ylmethyl)aniline
CID 105459503
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole?
The IUPAC name of 6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole (CID 82497673) is 6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole.
What is the SMILES notation for 6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole?
The canonical SMILES for 6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole is COc1ccc2c(CC3CCNCC3)c[nH]c2c1.
What is the InChIKey of 6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole?
The InChIKey is MEJAZYHBBDZRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-18-13-2-3-14-12(10-17-15(14)9-13)8-11-4-6-16-7-5-11/h2-3,9-11,16-17H,4-8H2,1H3.
What are the key properties of 6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole?
6-methoxy-3-(piperidin-4-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 6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole is sourced from PubChem (CID 82497673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).