4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile

C13H14Cl2N2 — CID 110431320

IUPAC4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H14Cl2N2/c1-17-7-5-13(9-16,6-8-17)12-10(14)3-2-4-11(12)15/h2-4H,5-8H2,1H3
InChIKeyHYSMGWHHYCATGO-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.48
Rot. Bonds1

About 4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile

4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile (PubChem CID 110431320) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile
PubChem CID110431320
Molecular FormulaC13H14Cl2N2
Molecular Weight269.17 g/mol
Exact Mass268.05
IUPAC Name4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile
SMILESCN1CCC(C#N)(c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H14Cl2N2/c1-17-7-5-13(9-16,6-8-17)12-10(14)3-2-4-11(12)15/h2-4H,5-8H2,1H3
InChIKeyHYSMGWHHYCATGO-UHFFFAOYSA-N
XLogP3.48
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile?
The IUPAC name of 4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile (CID 110431320) is 4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile is CN1CCC(C#N)(c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile?
The InChIKey is HYSMGWHHYCATGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-17-7-5-13(9-16,6-8-17)12-10(14)3-2-4-11(12)15/h2-4H,5-8H2,1H3.
What are the key properties of 4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile?
4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile has a molecular weight of 269.17 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-1-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 110431320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).