4-ethoxy-4-ethylpiperidine

C9H19NO — CID 97036963

IUPAC4-ethoxy-4-ethylpiperidine
SMILESCCOC1(CC)CCNCC1
InChIInChI=1S/C9H19NO/c1-3-9(11-4-2)5-7-10-8-6-9/h10H,3-8H2,1-2H3
InChIKeyKEDWCKFRRHKGSF-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.56
Rot. Bonds3

About 4-ethoxy-4-ethylpiperidine

4-ethoxy-4-ethylpiperidine (PubChem CID 97036963) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-ethoxy-4-ethylpiperidine.

Molecular Properties

Compound Name4-ethoxy-4-ethylpiperidine
PubChem CID97036963
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-ethoxy-4-ethylpiperidine
SMILESCCOC1(CC)CCNCC1
InChIInChI=1S/C9H19NO/c1-3-9(11-4-2)5-7-10-8-6-9/h10H,3-8H2,1-2H3
InChIKeyKEDWCKFRRHKGSF-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(4-ethoxypiperidin-4-yl)-N-methylmethanamine
CID 143619913
(4-ethylpiperidin-4-yl) 2-sulfanylacetate
CID 168757853
4,4-diethylpiperidine;hydrochloride
CID 75419509
(4-methoxypiperidin-4-yl)methanamine
CID 84648969
4-ethylpiperidine-4-thiol
CID 54175704
7-azaspiro[3.5]nonane;propane
CID 91104176
4-ethylpiperidin-4-amine;dihydrochloride
CID 86276736
(3-ethylpyrrolidin-3-yl) 2-sulfanylacetate
CID 168758060
2-ethoxy-2-ethylpyrrolidine
CID 69498113
(3-methoxypyrrolidin-3-yl)methanamine
CID 19694993
1-(1-ethoxycyclobutyl)cyclopropan-1-amine
CID 84763643
4-ethyl-4-methylsulfanylpiperidine
CID 148783582

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-ethylpiperidine?
The IUPAC name of 4-ethoxy-4-ethylpiperidine (CID 97036963) is 4-ethoxy-4-ethylpiperidine.
What is the SMILES notation for 4-ethoxy-4-ethylpiperidine?
The canonical SMILES for 4-ethoxy-4-ethylpiperidine is CCOC1(CC)CCNCC1.
What is the InChIKey of 4-ethoxy-4-ethylpiperidine?
The InChIKey is KEDWCKFRRHKGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-9(11-4-2)5-7-10-8-6-9/h10H,3-8H2,1-2H3.
What are the key properties of 4-ethoxy-4-ethylpiperidine?
4-ethoxy-4-ethylpiperidine has a molecular weight of 157.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-ethylpiperidine is sourced from PubChem (CID 97036963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).