2-(4-cyanopiperidin-1-yl)benzene-1,3-dicarbonitrile

C14H12N4 — CID 1479670

IUPAC2-(4-cyanopiperidin-1-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1N1CCC(C#N)CC1
InChIInChI=1S/C14H12N4/c15-8-11-4-6-18(7-5-11)14-12(9-16)2-1-3-13(14)10-17/h1-3,11H,4-7H2
InChIKeyNSIHWKUGAXQIKQ-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.17
Rot. Bonds1

About 2-(4-cyanopiperidin-1-yl)benzene-1,3-dicarbonitrile

2-(4-cyanopiperidin-1-yl)benzene-1,3-dicarbonitrile (PubChem CID 1479670) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(4-cyanopiperidin-1-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(4-cyanopiperidin-1-yl)benzene-1,3-dicarbonitrile
PubChem CID1479670
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2-(4-cyanopiperidin-1-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1N1CCC(C#N)CC1
InChIInChI=1S/C14H12N4/c15-8-11-4-6-18(7-5-11)14-12(9-16)2-1-3-13(14)10-17/h1-3,11H,4-7H2
InChIKeyNSIHWKUGAXQIKQ-UHFFFAOYSA-N
XLogP2.17
TPSA74.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2735875
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CID 68069
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CID 2806148
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CID 2774355
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CID 76134
CID 76134
CID 69853
CID 69853
CID 1247098
CID 1247098
CID 22397822
CID 22397822
CID 268605
CID 268605
CID 293446
CID 293446
CID 1910761
CID 1910761
CID 2323364
CID 2323364

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanopiperidin-1-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(4-cyanopiperidin-1-yl)benzene-1,3-dicarbonitrile (CID 1479670) is 2-(4-cyanopiperidin-1-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(4-cyanopiperidin-1-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(4-cyanopiperidin-1-yl)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1N1CCC(C#N)CC1.
What is the InChIKey of 2-(4-cyanopiperidin-1-yl)benzene-1,3-dicarbonitrile?
The InChIKey is NSIHWKUGAXQIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-8-11-4-6-18(7-5-11)14-12(9-16)2-1-3-13(14)10-17/h1-3,11H,4-7H2.
What are the key properties of 2-(4-cyanopiperidin-1-yl)benzene-1,3-dicarbonitrile?
2-(4-cyanopiperidin-1-yl)benzene-1,3-dicarbonitrile has a molecular weight of 236.28 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanopiperidin-1-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 1479670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).