1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-ol

C20H31NO — CID 68768724

IUPAC1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-ol
SMILESC=CCN1C(CC=C)(CC=C)CC(O)CC1(CC=C)CC=C
InChIInChI=1S/C20H31NO/c1-6-11-19(12-7-2)16-18(22)17-20(13-8-3,14-9-4)21(19)15-10-5/h6-10,18,22H,1-5,11-17H2
InChIKeyUXZKFLOWMZQEDS-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.41
Rot. Bonds10

About 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-ol

1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-ol (PubChem CID 68768724) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-ol.

Molecular Properties

Compound Name1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-ol
PubChem CID68768724
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC Name1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-ol
SMILESC=CCN1C(CC=C)(CC=C)CC(O)CC1(CC=C)CC=C
InChIInChI=1S/C20H31NO/c1-6-11-19(12-7-2)16-18(22)17-20(13-8-3,14-9-4)21(19)15-10-5/h6-10,18,22H,1-5,11-17H2
InChIKeyUXZKFLOWMZQEDS-UHFFFAOYSA-N
XLogP4.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.41
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 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-ol?
The IUPAC name of 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-ol (CID 68768724) is 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-ol.
What is the SMILES notation for 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-ol?
The canonical SMILES for 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-ol is C=CCN1C(CC=C)(CC=C)CC(O)CC1(CC=C)CC=C.
What is the InChIKey of 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-ol?
The InChIKey is UXZKFLOWMZQEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-6-11-19(12-7-2)16-18(22)17-20(13-8-3,14-9-4)21(19)15-10-5/h6-10,18,22H,1-5,11-17H2.
What are the key properties of 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-ol?
1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-ol has a molecular weight of 301.47 g/mol, XLogP of 4.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentakis(prop-2-enyl)piperidin-4-ol is sourced from PubChem (CID 68768724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).