2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol

C12H23NO — CID 12689468

IUPAC2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol
SMILESC=C(C)C1(O)CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-9(2)12(14)7-10(3,4)13-11(5,6)8-12/h13-14H,1,7-8H2,2-6H3
InChIKeyHYFKOVQJLSPHFP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.23
Rot. Bonds1

About 2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol

2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol (PubChem CID 12689468) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol
PubChem CID12689468
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol
SMILESC=C(C)C1(O)CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-9(2)12(14)7-10(3,4)13-11(5,6)8-12/h13-14H,1,7-8H2,2-6H3
InChIKeyHYFKOVQJLSPHFP-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 12627392
CID 12627392
CID 4912824
CID 4912824
CID 59912286
CID 59912286
CID 142104125
CID 142104125
CID 7200585
CID 7200585
CID 12689469
CID 12689469

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol?
The IUPAC name of 2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol (CID 12689468) is 2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol?
The canonical SMILES for 2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol is C=C(C)C1(O)CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol?
The InChIKey is HYFKOVQJLSPHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)12(14)7-10(3,4)13-11(5,6)8-12/h13-14H,1,7-8H2,2-6H3.
What are the key properties of 2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol?
2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-prop-1-en-2-ylpiperidin-4-ol is sourced from PubChem (CID 12689468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).