2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol

C13H25NO — CID 54073601

IUPAC2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol
SMILESCC(=CCC(C)(C)O)CN1CCCCC1
InChIInChI=1S/C13H25NO/c1-12(7-8-13(2,3)15)11-14-9-5-4-6-10-14/h7,15H,4-6,8-11H2,1-3H3
InChIKeyMIEBZDOYEJQNCL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds4

About 2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol

2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol (PubChem CID 54073601) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol.

Molecular Properties

Compound Name2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol
PubChem CID54073601
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol
SMILESCC(=CCC(C)(C)O)CN1CCCCC1
InChIInChI=1S/C13H25NO/c1-12(7-8-13(2,3)15)11-14-9-5-4-6-10-14/h7,15H,4-6,8-11H2,1-3H3
InChIKeyMIEBZDOYEJQNCL-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol?
The IUPAC name of 2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol (CID 54073601) is 2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol.
What is the SMILES notation for 2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol?
The canonical SMILES for 2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol is CC(=CCC(C)(C)O)CN1CCCCC1.
What is the InChIKey of 2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol?
The InChIKey is MIEBZDOYEJQNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(7-8-13(2,3)15)11-14-9-5-4-6-10-14/h7,15H,4-6,8-11H2,1-3H3.
What are the key properties of 2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol?
2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol is sourced from PubChem (CID 54073601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).