2,2-diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-ol

C14H27NO — CID 20501095

IUPAC2,2-diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-ol
SMILESC=CCN1C(C)(C)CC(O)CC1(CC)CC
InChIInChI=1S/C14H27NO/c1-6-9-15-13(4,5)10-12(16)11-14(15,7-2)8-3/h6,12,16H,1,7-11H2,2-5H3
InChIKeyGCDSKHOOPYQSSV-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds4

About 2,2-diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-ol

2,2-diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-ol (PubChem CID 20501095) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,2-diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Name2,2-diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-ol
PubChem CID20501095
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,2-diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-ol
SMILESC=CCN1C(C)(C)CC(O)CC1(CC)CC
InChIInChI=1S/C14H27NO/c1-6-9-15-13(4,5)10-12(16)11-14(15,7-2)8-3/h6,12,16H,1,7-11H2,2-5H3
InChIKeyGCDSKHOOPYQSSV-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
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 2,2-diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-ol?
The IUPAC name of 2,2-diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-ol (CID 20501095) is 2,2-diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for 2,2-diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-ol?
The canonical SMILES for 2,2-diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-ol is C=CCN1C(C)(C)CC(O)CC1(CC)CC.
What is the InChIKey of 2,2-diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-ol?
The InChIKey is GCDSKHOOPYQSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-9-15-13(4,5)10-12(16)11-14(15,7-2)8-3/h6,12,16H,1,7-11H2,2-5H3.
What are the key properties of 2,2-diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-ol?
2,2-diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-ol has a molecular weight of 225.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6,6-dimethyl-1-prop-2-enylpiperidin-4-ol is sourced from PubChem (CID 20501095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).