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

C11H11Cl2N3 — CID 45275464

IUPAC1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C11H11Cl2N3/c12-9-6-15-7-10(13)11(9)16-3-1-8(5-14)2-4-16/h6-8H,1-4H2
InChIKeyZVIYJBMVFXMWLA-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.13
Rot. Bonds1

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

1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonitrile (PubChem CID 45275464) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonitrile
PubChem CID45275464
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C11H11Cl2N3/c12-9-6-15-7-10(13)11(9)16-3-1-8(5-14)2-4-16/h6-8H,1-4H2
InChIKeyZVIYJBMVFXMWLA-UHFFFAOYSA-N
XLogP3.13
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.13
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)piperidine-4-carbonitrile?
The IUPAC name of 1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonitrile (CID 45275464) is 1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonitrile is N#CC1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of 1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonitrile?
The InChIKey is ZVIYJBMVFXMWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c12-9-6-15-7-10(13)11(9)16-3-1-8(5-14)2-4-16/h6-8H,1-4H2.
What are the key properties of 1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonitrile?
1-(3,5-dichloro-4-pyridinyl)piperidine-4-carbonitrile has a molecular weight of 256.14 g/mol, XLogP of 3.13, 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)piperidine-4-carbonitrile is sourced from PubChem (CID 45275464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).