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

C13H25NO — CID 12625783

IUPAC(E)-2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol
SMILESC/C(=C\CC(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/b12-7+
InChIKeyMIEBZDOYEJQNCL-KPKJPENVSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds4

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

(E)-2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol (PubChem CID 12625783) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (E)-2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol.

Molecular Properties

Compound Name(E)-2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol
PubChem CID12625783
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(E)-2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol
SMILESC/C(=C\CC(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/b12-7+
InChIKeyMIEBZDOYEJQNCL-KPKJPENVSA-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 (E)-2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol?
The IUPAC name of (E)-2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol (CID 12625783) is (E)-2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol.
What is the SMILES notation for (E)-2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol?
The canonical SMILES for (E)-2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol is C/C(=C\CC(C)(C)O)CN1CCCCC1.
What is the InChIKey of (E)-2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol?
The InChIKey is MIEBZDOYEJQNCL-KPKJPENVSA-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/b12-7+.
What are the key properties of (E)-2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol?
(E)-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 (E)-2,5-dimethyl-6-piperidin-1-ylhex-4-en-2-ol is sourced from PubChem (CID 12625783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).