4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile

C19H18FN3 — CID 158355573

IUPAC4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile
SMILESN#Cc1ccc(F)cc1.N#Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C12H14N2.C7H4FN/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14;8-7-3-1-6(5-9)2-4-7/h4-7H,1-3,8-9H2;1-4H
InChIKeyGSVHEVJLFANYAB-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.25
Rot. Bonds1

About 4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile

4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile (PubChem CID 158355573) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile.

Molecular Properties

Compound Name4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile
PubChem CID158355573
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC Name4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile
SMILESN#Cc1ccc(F)cc1.N#Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C12H14N2.C7H4FN/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14;8-7-3-1-6(5-9)2-4-7/h4-7H,1-3,8-9H2;1-4H
InChIKeyGSVHEVJLFANYAB-UHFFFAOYSA-N
XLogP4.25
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexanamine;4-piperidin-1-ylbenzonitrile
CID 144513309
3-(azocan-1-yl)-5-fluorobenzonitrile
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1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
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4-cyano-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
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4-(4-methylpiperazin-1-yl)benzonitrile
CID 763205
4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)benzonitrile
CID 11068507
4-[4-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]benzonitrile
CID 55703622
4-(3-fluoropiperidin-1-yl)benzonitrile
CID 105456209
2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 24699773
3-fluoro-4-piperidin-1-ylbenzonitrile
CID 807896
azane;1-(4-fluorophenyl)piperazine;platinum;dihydrochloride
CID 71542549

Frequently Asked Questions

What is the IUPAC name of 4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile?
The IUPAC name of 4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile (CID 158355573) is 4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile.
What is the SMILES notation for 4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile?
The canonical SMILES for 4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile is N#Cc1ccc(F)cc1.N#Cc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile?
The InChIKey is GSVHEVJLFANYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C7H4FN/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14;8-7-3-1-6(5-9)2-4-7/h4-7H,1-3,8-9H2;1-4H.
What are the key properties of 4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile?
4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile has a molecular weight of 307.37 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile is sourced from PubChem (CID 158355573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).