4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol

C11H21NO2 — CID 20696744

IUPAC4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol
SMILESC/C=C/C(OC)C1CCN(C)CC1O
InChIInChI=1S/C11H21NO2/c1-4-5-11(14-3)9-6-7-12(2)8-10(9)13/h4-5,9-11,13H,6-8H2,1-3H3/b5-4+
InChIKeyWGURBCQMTCOZQH-SNAWJCMRSA-N
MW199.29 g/mol
LogP0.89
Rot. Bonds3

About 4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol

4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol (PubChem CID 20696744) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol
PubChem CID20696744
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol
SMILESC/C=C/C(OC)C1CCN(C)CC1O
InChIInChI=1S/C11H21NO2/c1-4-5-11(14-3)9-6-7-12(2)8-10(9)13/h4-5,9-11,13H,6-8H2,1-3H3/b5-4+
InChIKeyWGURBCQMTCOZQH-SNAWJCMRSA-N
XLogP0.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-(diethylamino)-1-[(2R,3R)-2-ethenyloxetan-3-yl]ethanol
CID 134995514
actinium;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol
CID 20696743
actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
CID 20696745
actinium;4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
CID 59971185
4-methyl-1-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropyl]piperidin-3-ol
CID 141775936
[(E)-1-(3-hydroxy-1-methylpiperidin-4-yl)but-2-enyl] acetate
CID 141930505
actinium;4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol;4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol
CID 162076987
1-[4-[[(2R)-2-ethyl-1lambda3-iodacyclohexa-4,6-dien-3-yl]oxymethyl]piperidin-1-yl]propan-1-ol
CID 163444107
4-[(E)-3-iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
CID 20696746
4-[(E)-3-(123I)iodo-1-methoxyprop-2-enyl]-1-methylpiperidin-3-ol
CID 59971186
1-(2-Hydroxyhex-5-enyl)-4-methylpiperidin-3-ol
CID 109950719
1-[4-(Methoxymethyl)piperidin-1-yl]hex-5-en-2-ol
CID 112283413

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol?
The IUPAC name of 4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol (CID 20696744) is 4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol.
What is the SMILES notation for 4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol?
The canonical SMILES for 4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol is C/C=C/C(OC)C1CCN(C)CC1O.
What is the InChIKey of 4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol?
The InChIKey is WGURBCQMTCOZQH-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-5-11(14-3)9-6-7-12(2)8-10(9)13/h4-5,9-11,13H,6-8H2,1-3H3/b5-4+.
What are the key properties of 4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol?
4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol has a molecular weight of 199.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-methoxybut-2-enyl]-1-methylpiperidin-3-ol is sourced from PubChem (CID 20696744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).