2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride

C15H19ClN2 — CID 67006265

IUPAC2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride
SMILESCC(C)c1cc(C2=CCNCC2)ccc1C#N.Cl
InChIInChI=1S/C15H18N2.ClH/c1-11(2)15-9-13(3-4-14(15)10-16)12-5-7-17-8-6-12;/h3-5,9,11,17H,6-8H2,1-2H3;1H
InChIKeyLYLOVCSLCKZRBG-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.48
Rot. Bonds2

About 2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride

2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride (PubChem CID 67006265) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride.

Molecular Properties

Compound Name2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride
PubChem CID67006265
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride
SMILESCC(C)c1cc(C2=CCNCC2)ccc1C#N.Cl
InChIInChI=1S/C15H18N2.ClH/c1-11(2)15-9-13(3-4-14(15)10-16)12-5-7-17-8-6-12;/h3-5,9,11,17H,6-8H2,1-2H3;1H
InChIKeyLYLOVCSLCKZRBG-UHFFFAOYSA-N
XLogP3.48
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride?
The IUPAC name of 2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride (CID 67006265) is 2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride.
What is the SMILES notation for 2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride?
The canonical SMILES for 2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride is CC(C)c1cc(C2=CCNCC2)ccc1C#N.Cl.
What is the InChIKey of 2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride?
The InChIKey is LYLOVCSLCKZRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.ClH/c1-11(2)15-9-13(3-4-14(15)10-16)12-5-7-17-8-6-12;/h3-5,9,11,17H,6-8H2,1-2H3;1H.
What are the key properties of 2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride?
2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride is sourced from PubChem (CID 67006265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).