1-[(E)-4-chlorobut-2-enyl]piperidin-4-ol

C9H16ClNO — CID 64682749

IUPAC1-[(E)-4-chlorobut-2-enyl]piperidin-4-ol
SMILESOC1CCN(C/C=C/CCl)CC1
InChIInChI=1S/C9H16ClNO/c10-5-1-2-6-11-7-3-9(12)4-8-11/h1-2,9,12H,3-8H2/b2-1+
InChIKeyVUIUWDLTKOHPDG-OWOJBTEDSA-N
MW189.69 g/mol
LogP1.24
Rot. Bonds3

About 1-[(E)-4-chlorobut-2-enyl]piperidin-4-ol

1-[(E)-4-chlorobut-2-enyl]piperidin-4-ol (PubChem CID 64682749) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 1-[(E)-4-chlorobut-2-enyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(E)-4-chlorobut-2-enyl]piperidin-4-ol
PubChem CID64682749
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name1-[(E)-4-chlorobut-2-enyl]piperidin-4-ol
SMILESOC1CCN(C/C=C/CCl)CC1
InChIInChI=1S/C9H16ClNO/c10-5-1-2-6-11-7-3-9(12)4-8-11/h1-2,9,12H,3-8H2/b2-1+
InChIKeyVUIUWDLTKOHPDG-OWOJBTEDSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(Prop-2-EN-1-YL)piperidin-4-OL
CID 12725716
1,1-Bis(prop-2-enyl)piperidin-1-ium-4-ol
CID 57064337
Methane;1-prop-2-enylpiperidin-4-ol
CID 67493558
N,N-diallyl(4-hydroxy)piperidinium bromide
CID 70246044
1-(2-Chloroprop-2-enyl)piperidin-4-ol
CID 47010963
1-[(E)-but-2-enyl]piperidin-4-ol
CID 60698770
1-[(E)-4-chlorobut-2-enyl]piperidin-3-ol
CID 64682759
1-(3-Chloroprop-2-enyl)piperidin-3-ol
CID 76874432
1-(4-Chlorobut-2-enyl)-4-ethoxypiperidine
CID 77051346
1-(4-Chlorobut-2-enyl)piperidin-4-ol
CID 77051790
1-(4-Chlorobut-2-enyl)-4-methoxypiperidine
CID 77051793
1-(4-Chlorobut-2-enyl)piperidin-3-ol
CID 77051800

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-chlorobut-2-enyl]piperidin-4-ol?
The IUPAC name of 1-[(E)-4-chlorobut-2-enyl]piperidin-4-ol (CID 64682749) is 1-[(E)-4-chlorobut-2-enyl]piperidin-4-ol.
What is the SMILES notation for 1-[(E)-4-chlorobut-2-enyl]piperidin-4-ol?
The canonical SMILES for 1-[(E)-4-chlorobut-2-enyl]piperidin-4-ol is OC1CCN(C/C=C/CCl)CC1.
What is the InChIKey of 1-[(E)-4-chlorobut-2-enyl]piperidin-4-ol?
The InChIKey is VUIUWDLTKOHPDG-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H16ClNO/c10-5-1-2-6-11-7-3-9(12)4-8-11/h1-2,9,12H,3-8H2/b2-1+.
What are the key properties of 1-[(E)-4-chlorobut-2-enyl]piperidin-4-ol?
1-[(E)-4-chlorobut-2-enyl]piperidin-4-ol has a molecular weight of 189.69 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-chlorobut-2-enyl]piperidin-4-ol is sourced from PubChem (CID 64682749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).