1-ethylpiperidine

C21H45N3 — CID 143658552

IUPAC1-ethylpiperidine
SMILESCCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1
InChIInChI=1S/3C7H15N/c3*1-2-8-6-4-3-5-7-8/h3*2-7H2,1H3
InChIKeyIRHFQVPJRXONDZ-UHFFFAOYSA-N
MW339.61 g/mol
LogP4.48
Rot. Bonds3

About 1-ethylpiperidine

1-ethylpiperidine (PubChem CID 143658552) has the molecular formula C21H45N3 and a molecular weight of 339.61 g/mol. Its IUPAC name is 1-ethylpiperidine.

Molecular Properties

Compound Name1-ethylpiperidine
PubChem CID143658552
Molecular FormulaC21H45N3
Molecular Weight339.61 g/mol
Exact Mass339.36
IUPAC Name1-ethylpiperidine
SMILESCCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1
InChIInChI=1S/3C7H15N/c3*1-2-8-6-4-3-5-7-8/h3*2-7H2,1H3
InChIKeyIRHFQVPJRXONDZ-UHFFFAOYSA-N
XLogP4.48
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.61
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidine?
The IUPAC name of 1-ethylpiperidine (CID 143658552) is 1-ethylpiperidine.
What is the SMILES notation for 1-ethylpiperidine?
The canonical SMILES for 1-ethylpiperidine is CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.
What is the InChIKey of 1-ethylpiperidine?
The InChIKey is IRHFQVPJRXONDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H15N/c3*1-2-8-6-4-3-5-7-8/h3*2-7H2,1H3.
What are the key properties of 1-ethylpiperidine?
1-ethylpiperidine has a molecular weight of 339.61 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine is sourced from PubChem (CID 143658552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).