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

C17H21N3 — CID 107919142

IUPAC1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile
SMILESCN1CCCCC1CCn1ccc2c(C#N)cccc21
InChIInChI=1S/C17H21N3/c1-19-10-3-2-6-15(19)8-11-20-12-9-16-14(13-18)5-4-7-17(16)20/h4-5,7,9,12,15H,2-3,6,8,10-11H2,1H3
InChIKeyAYYPLAWRUZRKBE-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.39
Rot. Bonds3

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

1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile (PubChem CID 107919142) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile
PubChem CID107919142
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile
SMILESCN1CCCCC1CCn1ccc2c(C#N)cccc21
InChIInChI=1S/C17H21N3/c1-19-10-3-2-6-15(19)8-11-20-12-9-16-14(13-18)5-4-7-17(16)20/h4-5,7,9,12,15H,2-3,6,8,10-11H2,1H3
InChIKeyAYYPLAWRUZRKBE-UHFFFAOYSA-N
XLogP3.39
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile
CID 107918855
1-(2-aminoethyl)indole-4-carbonitrile
CID 103846349
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine
CID 107913072
1-[3-(2-methoxyethoxy)propyl]indole-4-carbonitrile
CID 107919185
1-pent-4-ynylindole-4-carbonitrile
CID 107918825
1-(3-hydroxybutyl)indole-4-carbonitrile
CID 107918979
1-(3-methylbut-3-enyl)indole-4-carbonitrile
CID 107919182
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid
CID 67255296
1-(4-aminobutyl)indole-4-carbonitrile
CID 107918909
1-(cyanomethyl)indole-4-carbonitrile
CID 107919207
6-chloro-1-[2-(1-methylpiperidin-2-yl)ethyl]indole
CID 107914201
1-(2-cyclopentylethyl)-4-methylindole
CID 114192720

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile?
The IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile (CID 107919142) is 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile.
What is the SMILES notation for 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile?
The canonical SMILES for 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile is CN1CCCCC1CCn1ccc2c(C#N)cccc21.
What is the InChIKey of 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile?
The InChIKey is AYYPLAWRUZRKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-19-10-3-2-6-15(19)8-11-20-12-9-16-14(13-18)5-4-7-17(16)20/h4-5,7,9,12,15H,2-3,6,8,10-11H2,1H3.
What are the key properties of 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile?
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile has a molecular weight of 267.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile is sourced from PubChem (CID 107919142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).