2-piperidin-1-ylbenzonitrile

C12H14N2 — CID 2774355

IUPAC2-piperidin-1-ylbenzonitrile
SMILESN#Cc1ccccc1N1CCCCC1
InChIInChI=1S/C12H14N2/c13-10-11-6-2-3-7-12(11)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9H2
InChIKeyMEBVSLLKZSAIGK-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.55
Rot. Bonds1

About 2-piperidin-1-ylbenzonitrile

2-piperidin-1-ylbenzonitrile (PubChem CID 2774355) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-piperidin-1-ylbenzonitrile.

Molecular Properties

Compound Name2-piperidin-1-ylbenzonitrile
PubChem CID2774355
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-piperidin-1-ylbenzonitrile
SMILESN#Cc1ccccc1N1CCCCC1
InChIInChI=1S/C12H14N2/c13-10-11-6-2-3-7-12(11)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9H2
InChIKeyMEBVSLLKZSAIGK-UHFFFAOYSA-N
XLogP2.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylbenzonitrile?
The IUPAC name of 2-piperidin-1-ylbenzonitrile (CID 2774355) is 2-piperidin-1-ylbenzonitrile.
What is the SMILES notation for 2-piperidin-1-ylbenzonitrile?
The canonical SMILES for 2-piperidin-1-ylbenzonitrile is N#Cc1ccccc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylbenzonitrile?
The InChIKey is MEBVSLLKZSAIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-10-11-6-2-3-7-12(11)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of 2-piperidin-1-ylbenzonitrile?
2-piperidin-1-ylbenzonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylbenzonitrile is sourced from PubChem (CID 2774355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).