1-(2-nitrosoethyl)piperidine

C7H14N2O — CID 88957775

IUPAC1-(2-nitrosoethyl)piperidine
SMILESO=NCCN1CCCCC1
InChIInChI=1S/C7H14N2O/c10-8-4-7-9-5-2-1-3-6-9/h1-7H2
InChIKeyYKYQENSUTWBAIH-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.24
Rot. Bonds3

About 1-(2-nitrosoethyl)piperidine

1-(2-nitrosoethyl)piperidine (PubChem CID 88957775) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(2-nitrosoethyl)piperidine.

Molecular Properties

Compound Name1-(2-nitrosoethyl)piperidine
PubChem CID88957775
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(2-nitrosoethyl)piperidine
SMILESO=NCCN1CCCCC1
InChIInChI=1S/C7H14N2O/c10-8-4-7-9-5-2-1-3-6-9/h1-7H2
InChIKeyYKYQENSUTWBAIH-UHFFFAOYSA-N
XLogP1.24
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrosoethyl)piperidine?
The IUPAC name of 1-(2-nitrosoethyl)piperidine (CID 88957775) is 1-(2-nitrosoethyl)piperidine.
What is the SMILES notation for 1-(2-nitrosoethyl)piperidine?
The canonical SMILES for 1-(2-nitrosoethyl)piperidine is O=NCCN1CCCCC1.
What is the InChIKey of 1-(2-nitrosoethyl)piperidine?
The InChIKey is YKYQENSUTWBAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c10-8-4-7-9-5-2-1-3-6-9/h1-7H2.
What are the key properties of 1-(2-nitrosoethyl)piperidine?
1-(2-nitrosoethyl)piperidine has a molecular weight of 142.20 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrosoethyl)piperidine is sourced from PubChem (CID 88957775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).