3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile

C17H21N3 — CID 84751976

IUPAC3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile
SMILESCC(C#N)(Cc1c[nH]c2ccccc12)N1CCCCC1
InChIInChI=1S/C17H21N3/c1-17(13-18,20-9-5-2-6-10-20)11-14-12-19-16-8-4-3-7-15(14)16/h3-4,7-8,12,19H,2,5-6,9-11H2,1H3
InChIKeyBIZCKBHSWGGPJN-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.48
Rot. Bonds3

About 3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile

3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile (PubChem CID 84751976) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile
PubChem CID84751976
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile
SMILESCC(C#N)(Cc1c[nH]c2ccccc12)N1CCCCC1
InChIInChI=1S/C17H21N3/c1-17(13-18,20-9-5-2-6-10-20)11-14-12-19-16-8-4-3-7-15(14)16/h3-4,7-8,12,19H,2,5-6,9-11H2,1H3
InChIKeyBIZCKBHSWGGPJN-UHFFFAOYSA-N
XLogP3.48
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-2-methyl-3-(1H-pyrrol-2-yl)propanenitrile
CID 84751682
methyl N-[(2S)-2-cyano-1-(1H-indol-3-yl)propan-2-yl]carbamate
CID 10988925
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile
CID 82079350
3-(2,2-dimethylhexyl)-1H-indole
CID 70819800
1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile
CID 171079929
2-(1H-indol-3-ylmethyl)prop-2-enenitrile
CID 101351903
3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile
CID 84750326
3-(2,2-dideuterio-2-pyrrolidin-1-ylethyl)-1H-indole
CID 166106987
CID 156836272
CID 156836272
N-(1H-indol-3-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 61034726
1-(dimethylamino)-2-(1H-indol-3-yl)ethane-1,1-diol
CID 172578399

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile?
The IUPAC name of 3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile (CID 84751976) is 3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile?
The canonical SMILES for 3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile is CC(C#N)(Cc1c[nH]c2ccccc12)N1CCCCC1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile?
The InChIKey is BIZCKBHSWGGPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-17(13-18,20-9-5-2-6-10-20)11-14-12-19-16-8-4-3-7-15(14)16/h3-4,7-8,12,19H,2,5-6,9-11H2,1H3.
What are the key properties of 3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile?
3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile has a molecular weight of 267.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-methyl-2-piperidin-1-ylpropanenitrile is sourced from PubChem (CID 84751976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).