1-(2-isocyanoethyl)piperidine

C8H14N2 — CID 2759438

IUPAC1-(2-isocyanoethyl)piperidine
SMILES[C-]#[N+]CCN1CCCCC1
InChIInChI=1S/C8H14N2/c1-9-5-8-10-6-3-2-4-7-10/h2-8H2
InChIKeyCGOLDFXRZLCRLQ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.39
Rot. Bonds2

About 1-(2-isocyanoethyl)piperidine

1-(2-isocyanoethyl)piperidine (PubChem CID 2759438) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(2-isocyanoethyl)piperidine.

Molecular Properties

Compound Name1-(2-isocyanoethyl)piperidine
PubChem CID2759438
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-(2-isocyanoethyl)piperidine
SMILES[C-]#[N+]CCN1CCCCC1
InChIInChI=1S/C8H14N2/c1-9-5-8-10-6-3-2-4-7-10/h2-8H2
InChIKeyCGOLDFXRZLCRLQ-UHFFFAOYSA-N
XLogP1.39
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-isocyanoethyl)piperidine?
The IUPAC name of 1-(2-isocyanoethyl)piperidine (CID 2759438) is 1-(2-isocyanoethyl)piperidine.
What is the SMILES notation for 1-(2-isocyanoethyl)piperidine?
The canonical SMILES for 1-(2-isocyanoethyl)piperidine is [C-]#[N+]CCN1CCCCC1.
What is the InChIKey of 1-(2-isocyanoethyl)piperidine?
The InChIKey is CGOLDFXRZLCRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-9-5-8-10-6-3-2-4-7-10/h2-8H2.
What are the key properties of 1-(2-isocyanoethyl)piperidine?
1-(2-isocyanoethyl)piperidine has a molecular weight of 138.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-isocyanoethyl)piperidine is sourced from PubChem (CID 2759438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).