2,2,6,6-tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol

C14H27NO — CID 20501071

IUPAC2,2,6,6-tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol
SMILESCC(C)=CCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C14H27NO/c1-11(2)7-8-15-13(3,4)9-12(16)10-14(15,5)6/h7,12,16H,8-10H2,1-6H3
InChIKeyCVYPHNQWWKZWMO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds2

About 2,2,6,6-tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol

2,2,6,6-tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol (PubChem CID 20501071) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol
PubChem CID20501071
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,2,6,6-tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol
SMILESCC(C)=CCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C14H27NO/c1-11(2)7-8-15-13(3,4)9-12(16)10-14(15,5)6/h7,12,16H,8-10H2,1-6H3
InChIKeyCVYPHNQWWKZWMO-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 2,2,6,6-tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol?
The IUPAC name of 2,2,6,6-tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol (CID 20501071) is 2,2,6,6-tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol.
What is the SMILES notation for 2,2,6,6-tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol?
The canonical SMILES for 2,2,6,6-tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol is CC(C)=CCN1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol?
The InChIKey is CVYPHNQWWKZWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)7-8-15-13(3,4)9-12(16)10-14(15,5)6/h7,12,16H,8-10H2,1-6H3.
What are the key properties of 2,2,6,6-tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol?
2,2,6,6-tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol has a molecular weight of 225.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-1-(3-methylbut-2-enyl)piperidin-4-ol is sourced from PubChem (CID 20501071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).