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

C17H16Cl2N4 — CID 133485338

IUPAC5-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC(Cc3cc(Cl)ccc3Cl)CC2)cn1
InChIInChI=1S/C17H16Cl2N4/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/h1-2,8,10-12H,3-7H2
InChIKeyFCGYOPVAFWWSNB-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.11
Rot. Bonds3

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

5-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133485338) has the molecular formula C17H16Cl2N4 and a molecular weight of 347.25 g/mol. Its IUPAC name is 5-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID133485338
Molecular FormulaC17H16Cl2N4
Molecular Weight347.25 g/mol
Exact Mass346.08
IUPAC Name5-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCC(Cc3cc(Cl)ccc3Cl)CC2)cn1
InChIInChI=1S/C17H16Cl2N4/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/h1-2,8,10-12H,3-7H2
InChIKeyFCGYOPVAFWWSNB-UHFFFAOYSA-N
XLogP4.11
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 133493072
5-[4-[(2,5-dichlorophenyl)methylidene]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133492703
4-[(2,5-dichlorophenyl)methyl]piperidin-1-amine
CID 141012571
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 114382889
5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133291219
5-[4-(4-fluorophenyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133485866
5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 104696756
5-(4-benzyl-5-methyl-1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 133484859
5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 133485263
5-[4-[(6-oxo-4-pyridin-3-ylpyrimidin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126943277
2-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]acetic acid;hydrochloride
CID 154749832
4-[(2,5-dichlorophenyl)methyl]cyclohexan-1-one
CID 83261963

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile (CID 133485338) is 5-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-[(2,5-dichlorophenyl)methyl]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)methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is FCGYOPVAFWWSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4/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/h1-2,8,10-12H,3-7H2.
What are the key properties of 5-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile?
5-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 347.25 g/mol, XLogP of 4.11, 3 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)methyl]piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133485338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).