5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile

C17H14Cl2N4 — CID 133492703

IUPAC5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cn1
InChIInChI=1S/C17H14Cl2N4/c18-14-1-2-16(19)13(8-14)7-12-3-5-23(6-4-12)17-11-21-15(9-20)10-22-17/h1-2,7-8,10-11H,3-6H2
InChIKeyRAOVENBTAVLTTE-UHFFFAOYSA-N
MW345.23 g/mol
LogP4.34
Rot. Bonds2

About 5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile

5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133492703) has the molecular formula C17H14Cl2N4 and a molecular weight of 345.23 g/mol. Its IUPAC name is 5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID133492703
Molecular FormulaC17H14Cl2N4
Molecular Weight345.23 g/mol
Exact Mass344.06
IUPAC Name5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cn1
InChIInChI=1S/C17H14Cl2N4/c18-14-1-2-16(19)13(8-14)7-12-3-5-23(6-4-12)17-11-21-15(9-20)10-22-17/h1-2,7-8,10-11H,3-6H2
InChIKeyRAOVENBTAVLTTE-UHFFFAOYSA-N
XLogP4.34
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133485338
5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 133493072
5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carbonitrile
CID 63659628
5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133493080
5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 133485263
5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 104696756
5-(4-amino-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 79867314
5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 81463984
5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 104918116
5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile
CID 133491304
4-[[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]methyl]benzoic acid
CID 122029421
5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133485866

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile (CID 133492703) is 5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCC(=Cc3cc(Cl)ccc3Cl)CC2)cn1.
What is the InChIKey of 5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is RAOVENBTAVLTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4/c18-14-1-2-16(19)13(8-14)7-12-3-5-23(6-4-12)17-11-21-15(9-20)10-22-17/h1-2,7-8,10-11H,3-6H2.
What are the key properties of 5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile?
5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 345.23 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133492703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).