1-(2,2,3-trimethylbut-3-enyl)piperidin-4-ol

C12H23NO — CID 89355853

IUPAC1-(2,2,3-trimethylbut-3-enyl)piperidin-4-ol
SMILESC=C(C)C(C)(C)CN1CCC(O)CC1
InChIInChI=1S/C12H23NO/c1-10(2)12(3,4)9-13-7-5-11(14)6-8-13/h11,14H,1,5-9H2,2-4H3
InChIKeyHHTLTOWZRAJABP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.05
Rot. Bonds3

About 1-(2,2,3-trimethylbut-3-enyl)piperidin-4-ol

1-(2,2,3-trimethylbut-3-enyl)piperidin-4-ol (PubChem CID 89355853) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2,2,3-trimethylbut-3-enyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2,2,3-trimethylbut-3-enyl)piperidin-4-ol
PubChem CID89355853
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2,2,3-trimethylbut-3-enyl)piperidin-4-ol
SMILESC=C(C)C(C)(C)CN1CCC(O)CC1
InChIInChI=1S/C12H23NO/c1-10(2)12(3,4)9-13-7-5-11(14)6-8-13/h11,14H,1,5-9H2,2-4H3
InChIKeyHHTLTOWZRAJABP-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.05
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 1-(2,2,3-trimethylbut-3-enyl)piperidin-4-ol?
The IUPAC name of 1-(2,2,3-trimethylbut-3-enyl)piperidin-4-ol (CID 89355853) is 1-(2,2,3-trimethylbut-3-enyl)piperidin-4-ol.
What is the SMILES notation for 1-(2,2,3-trimethylbut-3-enyl)piperidin-4-ol?
The canonical SMILES for 1-(2,2,3-trimethylbut-3-enyl)piperidin-4-ol is C=C(C)C(C)(C)CN1CCC(O)CC1.
What is the InChIKey of 1-(2,2,3-trimethylbut-3-enyl)piperidin-4-ol?
The InChIKey is HHTLTOWZRAJABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)12(3,4)9-13-7-5-11(14)6-8-13/h11,14H,1,5-9H2,2-4H3.
What are the key properties of 1-(2,2,3-trimethylbut-3-enyl)piperidin-4-ol?
1-(2,2,3-trimethylbut-3-enyl)piperidin-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3-trimethylbut-3-enyl)piperidin-4-ol is sourced from PubChem (CID 89355853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).