2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile

C10H14N4 — CID 82403871

IUPAC2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile
SMILESN#CCc1cnc(C2CCCNC2)[nH]1
InChIInChI=1S/C10H14N4/c11-4-3-9-7-13-10(14-9)8-2-1-5-12-6-8/h7-8,12H,1-3,5-6H2,(H,13,14)
InChIKeyJVQVQTIWXDSDSI-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.94
Rot. Bonds2

About 2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile

2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile (PubChem CID 82403871) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile
PubChem CID82403871
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile
SMILESN#CCc1cnc(C2CCCNC2)[nH]1
InChIInChI=1S/C10H14N4/c11-4-3-9-7-13-10(14-9)8-2-1-5-12-6-8/h7-8,12H,1-3,5-6H2,(H,13,14)
InChIKeyJVQVQTIWXDSDSI-UHFFFAOYSA-N
XLogP0.94
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine
CID 93256100
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650985
5-(azetidin-3-ylmethyl)-2-cyclopentyl-1H-imidazole
CID 105458203
(2-cyclopentyl-1H-imidazol-5-yl)methanamine
CID 63108808
3-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]piperidine
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3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43650991
3-(1H-1,2,4-triazol-5-yl)piperidine
CID 57004215
3-(1H-imidazol-2-yl)piperidine
CID 13281195
2-piperidin-3-ylpyrimidin-5-ol
CID 117231651
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile
CID 84816437
3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]piperidine
CID 43651028
3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651037

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile?
The IUPAC name of 2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile (CID 82403871) is 2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile?
The canonical SMILES for 2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile is N#CCc1cnc(C2CCCNC2)[nH]1.
What is the InChIKey of 2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile?
The InChIKey is JVQVQTIWXDSDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c11-4-3-9-7-13-10(14-9)8-2-1-5-12-6-8/h7-8,12H,1-3,5-6H2,(H,13,14).
What are the key properties of 2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile?
2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile has a molecular weight of 190.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-3-yl-1H-imidazol-5-yl)acetonitrile is sourced from PubChem (CID 82403871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).