8-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-3-yl)octan-4-ol

C20H39NO — CID 70535612

IUPAC8-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-3-yl)octan-4-ol
SMILESC=CCN1C(C)(C)CCC(CCCCC(O)CCC)C1(C)C
InChIInChI=1S/C20H39NO/c1-7-11-18(22)13-10-9-12-17-14-15-19(3,4)21(16-8-2)20(17,5)6/h8,17-18,22H,2,7,9-16H2,1,3-6H3
InChIKeyIOJFJTUEDNAEPR-UHFFFAOYSA-N
MW309.54 g/mol
LogP5.16
Rot. Bonds9

About 8-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-3-yl)octan-4-ol

8-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-3-yl)octan-4-ol (PubChem CID 70535612) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 8-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-3-yl)octan-4-ol.

Molecular Properties

Compound Name8-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-3-yl)octan-4-ol
PubChem CID70535612
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name8-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-3-yl)octan-4-ol
SMILESC=CCN1C(C)(C)CCC(CCCCC(O)CCC)C1(C)C
InChIInChI=1S/C20H39NO/c1-7-11-18(22)13-10-9-12-17-14-15-19(3,4)21(16-8-2)20(17,5)6/h8,17-18,22H,2,7,9-16H2,1,3-6H3
InChIKeyIOJFJTUEDNAEPR-UHFFFAOYSA-N
XLogP5.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-11-(1-propylcyclopropyl)undecan-6-ol
CID 58080307
(4R,8R)-undecane-4,8-diol
CID 101372142
1-cyclopentylheptan-4-ol
CID 64516527
(4S)-nonadecan-4-ol
CID 89325355
octacosan-4-ol
CID 54117167
nonadec-18-en-7-ol
CID 54362965
(9S)-heptadec-1-en-9-ol
CID 86644250
2,2,6,6-tetramethyl-1,3-bis(2-nitrosoethyl)piperidine
CID 174433432
1-cyclopropylundecan-3-ol
CID 115810831
tetradecane-1,11-diol
CID 11390599
8-aminooctan-4-ol
CID 146035755
(4R)-dodec-1-en-4-ol
CID 11074077

Frequently Asked Questions

What is the IUPAC name of 8-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-3-yl)octan-4-ol?
The IUPAC name of 8-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-3-yl)octan-4-ol (CID 70535612) is 8-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-3-yl)octan-4-ol.
What is the SMILES notation for 8-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-3-yl)octan-4-ol?
The canonical SMILES for 8-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-3-yl)octan-4-ol is C=CCN1C(C)(C)CCC(CCCCC(O)CCC)C1(C)C.
What is the InChIKey of 8-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-3-yl)octan-4-ol?
The InChIKey is IOJFJTUEDNAEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-7-11-18(22)13-10-9-12-17-14-15-19(3,4)21(16-8-2)20(17,5)6/h8,17-18,22H,2,7,9-16H2,1,3-6H3.
What are the key properties of 8-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-3-yl)octan-4-ol?
8-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-3-yl)octan-4-ol has a molecular weight of 309.54 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-3-yl)octan-4-ol is sourced from PubChem (CID 70535612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).