4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole

C15H20N2O — CID 114501337

IUPAC4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole
SMILESCOc1cccc2[nH]cc(C3CCNCC3C)c12
InChIInChI=1S/C15H20N2O/c1-10-8-16-7-6-11(10)12-9-17-13-4-3-5-14(18-2)15(12)13/h3-5,9-11,16-17H,6-8H2,1-2H3
InChIKeyKBGRZOSJADJINB-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.89
Rot. Bonds2

About 4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole

4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole (PubChem CID 114501337) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole
PubChem CID114501337
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole
SMILESCOc1cccc2[nH]cc(C3CCNCC3C)c12
InChIInChI=1S/C15H20N2O/c1-10-8-16-7-6-11(10)12-9-17-13-4-3-5-14(18-2)15(12)13/h3-5,9-11,16-17H,6-8H2,1-2H3
InChIKeyKBGRZOSJADJINB-UHFFFAOYSA-N
XLogP2.89
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-3,4-dimethoxyphenyl)-3-methylpiperidine
CID 79320890
(4-methoxy-1H-indol-3-yl)-piperidin-3-ylmethanol
CID 83162965
[2-(4-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]methanamine
CID 82384913
4-(2-ethoxyphenyl)-3-methylpiperidine
CID 66280150
4-(2-bromo-4,5-dimethoxyphenyl)-3-methylpiperidine
CID 79321380
2-[4-(4-methoxy-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141562
4-(2,4-difluorophenyl)-3-methylpiperidine
CID 66279713
4-chloro-3-piperidin-4-yl-1H-indole
CID 22484023
4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine
CID 114502183
3-fluoro-4-methoxy-1H-indole
CID 162696038
4-(4-fluoro-2-methylphenyl)-3-methylpiperidine
CID 66277962
3-methoxy-4-(2-methoxyphenyl)piperidine
CID 70219003

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole?
The IUPAC name of 4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole (CID 114501337) is 4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole is COc1cccc2[nH]cc(C3CCNCC3C)c12.
What is the InChIKey of 4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole?
The InChIKey is KBGRZOSJADJINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-8-16-7-6-11(10)12-9-17-13-4-3-5-14(18-2)15(12)13/h3-5,9-11,16-17H,6-8H2,1-2H3.
What are the key properties of 4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole?
4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole has a molecular weight of 244.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 114501337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).