(Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol

C11H21NO — CID 117266002

IUPAC(Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol
SMILESCCN1CCC(C/C=C\CO)CC1
InChIInChI=1S/C11H21NO/c1-2-12-8-6-11(7-9-12)5-3-4-10-13/h3-4,11,13H,2,5-10H2,1H3/b4-3-
InChIKeyOKYJVLDEDDXGRL-ARJAWSKDSA-N
MW183.30 g/mol
LogP1.66
Rot. Bonds4

About (Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol

(Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol (PubChem CID 117266002) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is (Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol
PubChem CID117266002
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name(Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol
SMILESCCN1CCC(C/C=C\CO)CC1
InChIInChI=1S/C11H21NO/c1-2-12-8-6-11(7-9-12)5-3-4-10-13/h3-4,11,13H,2,5-10H2,1H3/b4-3-
InChIKeyOKYJVLDEDDXGRL-ARJAWSKDSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.66
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 (Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol?
The IUPAC name of (Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol (CID 117266002) is (Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol.
What is the SMILES notation for (Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol?
The canonical SMILES for (Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol is CCN1CCC(C/C=C\CO)CC1.
What is the InChIKey of (Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol?
The InChIKey is OKYJVLDEDDXGRL-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-12-8-6-11(7-9-12)5-3-4-10-13/h3-4,11,13H,2,5-10H2,1H3/b4-3-.
What are the key properties of (Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol?
(Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol has a molecular weight of 183.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1-ethylpiperidin-4-yl)but-2-en-1-ol is sourced from PubChem (CID 117266002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).