1-(3,5-dichloro-4-pyridinyl)-4-methylpiperidine-4-carbonitrile

C12H13Cl2N3 — CID 45275570

IUPAC1-(3,5-dichloro-4-pyridinyl)-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C12H13Cl2N3/c1-12(8-15)2-4-17(5-3-12)11-9(13)6-16-7-10(11)14/h6-7H,2-5H2,1H3
InChIKeyZPFHJCSBRJULNH-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.52
Rot. Bonds1

About 1-(3,5-dichloro-4-pyridinyl)-4-methylpiperidine-4-carbonitrile

1-(3,5-dichloro-4-pyridinyl)-4-methylpiperidine-4-carbonitrile (PubChem CID 45275570) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-pyridinyl)-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3,5-dichloro-4-pyridinyl)-4-methylpiperidine-4-carbonitrile
PubChem CID45275570
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name1-(3,5-dichloro-4-pyridinyl)-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C12H13Cl2N3/c1-12(8-15)2-4-17(5-3-12)11-9(13)6-16-7-10(11)14/h6-7H,2-5H2,1H3
InChIKeyZPFHJCSBRJULNH-UHFFFAOYSA-N
XLogP3.52
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-4-methylpiperidine-4-carbonitrile (CID 45275570) is 1-(3,5-dichloro-4-pyridinyl)-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(3,5-dichloro-4-pyridinyl)-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(3,5-dichloro-4-pyridinyl)-4-methylpiperidine-4-carbonitrile is CC1(C#N)CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of 1-(3,5-dichloro-4-pyridinyl)-4-methylpiperidine-4-carbonitrile?
The InChIKey is ZPFHJCSBRJULNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-12(8-15)2-4-17(5-3-12)11-9(13)6-16-7-10(11)14/h6-7H,2-5H2,1H3.
What are the key properties of 1-(3,5-dichloro-4-pyridinyl)-4-methylpiperidine-4-carbonitrile?
1-(3,5-dichloro-4-pyridinyl)-4-methylpiperidine-4-carbonitrile has a molecular weight of 270.16 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-pyridinyl)-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 45275570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).