1-[2-(4-methylpiperidin-1-yl)ethyl]indole

C16H22N2 — CID 22989568

IUPAC1-[2-(4-methylpiperidin-1-yl)ethyl]indole
SMILESCC1CCN(CCn2ccc3ccccc32)CC1
InChIInChI=1S/C16H22N2/c1-14-6-9-17(10-7-14)12-13-18-11-8-15-4-2-3-5-16(15)18/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3
InChIKeyMYMRNTBKXKFLCD-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.37
Rot. Bonds3

About 1-[2-(4-methylpiperidin-1-yl)ethyl]indole

1-[2-(4-methylpiperidin-1-yl)ethyl]indole (PubChem CID 22989568) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-[2-(4-methylpiperidin-1-yl)ethyl]indole.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)ethyl]indole
PubChem CID22989568
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-[2-(4-methylpiperidin-1-yl)ethyl]indole
SMILESCC1CCN(CCn2ccc3ccccc32)CC1
InChIInChI=1S/C16H22N2/c1-14-6-9-17(10-7-14)12-13-18-11-8-15-4-2-3-5-16(15)18/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3
InChIKeyMYMRNTBKXKFLCD-UHFFFAOYSA-N
XLogP3.37
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)ethyl]indole?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)ethyl]indole (CID 22989568) is 1-[2-(4-methylpiperidin-1-yl)ethyl]indole.
What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)ethyl]indole?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)ethyl]indole is CC1CCN(CCn2ccc3ccccc32)CC1.
What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)ethyl]indole?
The InChIKey is MYMRNTBKXKFLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-14-6-9-17(10-7-14)12-13-18-11-8-15-4-2-3-5-16(15)18/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3.
What are the key properties of 1-[2-(4-methylpiperidin-1-yl)ethyl]indole?
1-[2-(4-methylpiperidin-1-yl)ethyl]indole has a molecular weight of 242.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperidin-1-yl)ethyl]indole is sourced from PubChem (CID 22989568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).