3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile

C13H18N2O — CID 82079350

IUPAC3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile
SMILESCC(C#N)(Cc1ccco1)N1CCCCC1
InChIInChI=1S/C13H18N2O/c1-13(11-14,10-12-6-5-9-16-12)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyFPRJKHSTINDQMF-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.59
Rot. Bonds3

About 3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile

3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile (PubChem CID 82079350) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile.

Molecular Properties

Compound Name3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile
PubChem CID82079350
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile
SMILESCC(C#N)(Cc1ccco1)N1CCCCC1
InChIInChI=1S/C13H18N2O/c1-13(11-14,10-12-6-5-9-16-12)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyFPRJKHSTINDQMF-UHFFFAOYSA-N
XLogP2.59
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-3-(2-fluorophenyl)-2-methylpropanenitrile
CID 84751667
2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile
CID 82078667
3-(furan-2-yl)-2-methyl-2-(4-methylphenyl)propanenitrile
CID 117048617
2-(azepan-1-yl)-3-(2-hydroxy-5-methylphenyl)-2-methylpropanenitrile
CID 84751679
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
2-(2-fluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile
CID 117048637
2-cyclohexyl-1-(furan-2-yl)propan-2-ol
CID 114794875
2-methyl-3-(3-nitrophenyl)-2-pyrrolidin-1-ylpropanenitrile
CID 84751814
2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile
CID 117048609
4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 65251772
N-[1-(furan-2-yl)propan-2-yl]piperidin-1-amine
CID 83006470
1-[3-(furan-2-yl)propyl]piperidine
CID 162740839

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile?
The IUPAC name of 3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile (CID 82079350) is 3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile.
What is the SMILES notation for 3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile?
The canonical SMILES for 3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile is CC(C#N)(Cc1ccco1)N1CCCCC1.
What is the InChIKey of 3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile?
The InChIKey is FPRJKHSTINDQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(11-14,10-12-6-5-9-16-12)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile?
3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile has a molecular weight of 218.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile is sourced from PubChem (CID 82079350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).