4-(piperidin-1-ylmethoxy)but-2-en-1-ol

C10H19NO2 — CID 4114496

IUPAC4-(piperidin-1-ylmethoxy)but-2-en-1-ol
SMILESOCC=CCOCN1CCCCC1
InChIInChI=1S/C10H19NO2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h4-5,12H,1-3,6-10H2
InChIKeySRSROIBNCHTJCS-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.99
Rot. Bonds5

About 4-(piperidin-1-ylmethoxy)but-2-en-1-ol

4-(piperidin-1-ylmethoxy)but-2-en-1-ol (PubChem CID 4114496) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethoxy)but-2-en-1-ol.

Molecular Properties

Compound Name4-(piperidin-1-ylmethoxy)but-2-en-1-ol
PubChem CID4114496
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(piperidin-1-ylmethoxy)but-2-en-1-ol
SMILESOCC=CCOCN1CCCCC1
InChIInChI=1S/C10H19NO2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h4-5,12H,1-3,6-10H2
InChIKeySRSROIBNCHTJCS-UHFFFAOYSA-N
XLogP0.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(prop-2-enoxymethyl)piperidine
CID 14644958
(E)-4-(azetidin-1-yl)but-2-en-1-ol
CID 177230653
1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine
CID 59434644
4-[(4-piperidin-1-yl-2-pyridinyl)oxy]but-2-en-1-ol
CID 154153153
1-[(E)-4-methoxybut-2-enyl]pyrrolidine
CID 176557900
pyrrolidin-1-ylmethoxysilane
CID 154479842
pyrrolidin-1-ylmethanol;hydrochloride
CID 68973638
bis(2-piperidin-1-ylethanol);dihydroiodide
CID 175097300
cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene
CID 67065277
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
potassium;hydride;pyrrolidin-1-ylmethoxyboronic acid
CID 174639919
pyrrolidin-1-ylmethyl acetate
CID 23560806

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethoxy)but-2-en-1-ol?
The IUPAC name of 4-(piperidin-1-ylmethoxy)but-2-en-1-ol (CID 4114496) is 4-(piperidin-1-ylmethoxy)but-2-en-1-ol.
What is the SMILES notation for 4-(piperidin-1-ylmethoxy)but-2-en-1-ol?
The canonical SMILES for 4-(piperidin-1-ylmethoxy)but-2-en-1-ol is OCC=CCOCN1CCCCC1.
What is the InChIKey of 4-(piperidin-1-ylmethoxy)but-2-en-1-ol?
The InChIKey is SRSROIBNCHTJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h4-5,12H,1-3,6-10H2.
What are the key properties of 4-(piperidin-1-ylmethoxy)but-2-en-1-ol?
4-(piperidin-1-ylmethoxy)but-2-en-1-ol has a molecular weight of 185.27 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethoxy)but-2-en-1-ol is sourced from PubChem (CID 4114496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).