2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-ol

C13H25NO — CID 20501079

IUPAC2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-ol
SMILESC=CCN1C(C)(C)CC(O)CC1(C)CC
InChIInChI=1S/C13H25NO/c1-6-8-14-12(3,4)9-11(15)10-13(14,5)7-2/h6,11,15H,1,7-10H2,2-5H3
InChIKeyBIGVZMQELXWYGO-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds3

About 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-ol

2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-ol (PubChem CID 20501079) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Name2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-ol
PubChem CID20501079
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-ol
SMILESC=CCN1C(C)(C)CC(O)CC1(C)CC
InChIInChI=1S/C13H25NO/c1-6-8-14-12(3,4)9-11(15)10-13(14,5)7-2/h6,11,15H,1,7-10H2,2-5H3
InChIKeyBIGVZMQELXWYGO-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-ol?
The IUPAC name of 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-ol (CID 20501079) is 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-ol?
The canonical SMILES for 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-ol is C=CCN1C(C)(C)CC(O)CC1(C)CC.
What is the InChIKey of 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-ol?
The InChIKey is BIGVZMQELXWYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-8-14-12(3,4)9-11(15)10-13(14,5)7-2/h6,11,15H,1,7-10H2,2-5H3.
What are the key properties of 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-ol?
2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-ol has a molecular weight of 211.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,6,6-trimethyl-1-prop-2-enylpiperidin-4-ol is sourced from PubChem (CID 20501079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).