2-(2-methylpiperidin-1-yl)acetonitrile

C8H14N2 — CID 22688889

IUPAC2-(2-methylpiperidin-1-yl)acetonitrile
SMILESCC1CCCCN1CC#N
InChIInChI=1S/C8H14N2/c1-8-4-2-3-6-10(8)7-5-9/h8H,2-4,6-7H2,1H3
InChIKeyACOLJMMCKXMANR-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.38
Rot. Bonds1

About 2-(2-methylpiperidin-1-yl)acetonitrile

2-(2-methylpiperidin-1-yl)acetonitrile (PubChem CID 22688889) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)acetonitrile
PubChem CID22688889
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-(2-methylpiperidin-1-yl)acetonitrile
SMILESCC1CCCCN1CC#N
InChIInChI=1S/C8H14N2/c1-8-4-2-3-6-10(8)7-5-9/h8H,2-4,6-7H2,1H3
InChIKeyACOLJMMCKXMANR-UHFFFAOYSA-N
XLogP1.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(2-methylpiperidin-1-yl)acetonitrile (CID 22688889) is 2-(2-methylpiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)acetonitrile is CC1CCCCN1CC#N.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)acetonitrile?
The InChIKey is ACOLJMMCKXMANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8-4-2-3-6-10(8)7-5-9/h8H,2-4,6-7H2,1H3.
What are the key properties of 2-(2-methylpiperidin-1-yl)acetonitrile?
2-(2-methylpiperidin-1-yl)acetonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)acetonitrile is sourced from PubChem (CID 22688889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).