1,2,2,6,6-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol

C13H25NO — CID 70524040

IUPAC1,2,2,6,6-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol
SMILESC/C=C\C1(O)CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C13H25NO/c1-7-8-13(15)9-11(2,3)14(6)12(4,5)10-13/h7-8,15H,9-10H2,1-6H3/b8-7-
InChIKeyQNVJOTBHUXZRCF-FPLPWBNLSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds1

About 1,2,2,6,6-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol

1,2,2,6,6-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol (PubChem CID 70524040) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol
PubChem CID70524040
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1,2,2,6,6-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol
SMILESC/C=C\C1(O)CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C13H25NO/c1-7-8-13(15)9-11(2,3)14(6)12(4,5)10-13/h7-8,15H,9-10H2,1-6H3/b8-7-
InChIKeyQNVJOTBHUXZRCF-FPLPWBNLSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
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-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol?
The IUPAC name of 1,2,2,6,6-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol (CID 70524040) is 1,2,2,6,6-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol?
The canonical SMILES for 1,2,2,6,6-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol is C/C=C\C1(O)CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1,2,2,6,6-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol?
The InChIKey is QNVJOTBHUXZRCF-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H25NO/c1-7-8-13(15)9-11(2,3)14(6)12(4,5)10-13/h7-8,15H,9-10H2,1-6H3/b8-7-.
What are the key properties of 1,2,2,6,6-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol?
1,2,2,6,6-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol has a molecular weight of 211.35 g/mol, XLogP of 2.58, 1 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-pentamethyl-4-[(Z)-prop-1-enyl]piperidin-4-ol is sourced from PubChem (CID 70524040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).