1-tert-butyl-4-prop-2-enylpiperidin-4-ol

C12H23NO — CID 90419798

IUPAC1-tert-butyl-4-prop-2-enylpiperidin-4-ol
SMILESC=CCC1(O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H23NO/c1-5-6-12(14)7-9-13(10-8-12)11(2,3)4/h5,14H,1,6-10H2,2-4H3
InChIKeyKTUOCPIHFPDRQZ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds2

About 1-tert-butyl-4-prop-2-enylpiperidin-4-ol

1-tert-butyl-4-prop-2-enylpiperidin-4-ol (PubChem CID 90419798) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-tert-butyl-4-prop-2-enylpiperidin-4-ol.

Molecular Properties

Compound Name1-tert-butyl-4-prop-2-enylpiperidin-4-ol
PubChem CID90419798
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-tert-butyl-4-prop-2-enylpiperidin-4-ol
SMILESC=CCC1(O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H23NO/c1-5-6-12(14)7-9-13(10-8-12)11(2,3)4/h5,14H,1,6-10H2,2-4H3
InChIKeyKTUOCPIHFPDRQZ-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
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-tert-butyl-4-prop-2-enylpiperidin-4-ol?
The IUPAC name of 1-tert-butyl-4-prop-2-enylpiperidin-4-ol (CID 90419798) is 1-tert-butyl-4-prop-2-enylpiperidin-4-ol.
What is the SMILES notation for 1-tert-butyl-4-prop-2-enylpiperidin-4-ol?
The canonical SMILES for 1-tert-butyl-4-prop-2-enylpiperidin-4-ol is C=CCC1(O)CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-prop-2-enylpiperidin-4-ol?
The InChIKey is KTUOCPIHFPDRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-6-12(14)7-9-13(10-8-12)11(2,3)4/h5,14H,1,6-10H2,2-4H3.
What are the key properties of 1-tert-butyl-4-prop-2-enylpiperidin-4-ol?
1-tert-butyl-4-prop-2-enylpiperidin-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-prop-2-enylpiperidin-4-ol is sourced from PubChem (CID 90419798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).