4-but-2-en-2-yl-1-methylpiperidin-4-ol

C10H19NO — CID 91525335

IUPAC4-but-2-en-2-yl-1-methylpiperidin-4-ol
SMILESCC=C(C)C1(O)CCN(C)CC1
InChIInChI=1S/C10H19NO/c1-4-9(2)10(12)5-7-11(3)8-6-10/h4,12H,5-8H2,1-3H3
InChIKeyXANUXVKXMHRQGO-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds1

About 4-but-2-en-2-yl-1-methylpiperidin-4-ol

4-but-2-en-2-yl-1-methylpiperidin-4-ol (PubChem CID 91525335) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-but-2-en-2-yl-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-but-2-en-2-yl-1-methylpiperidin-4-ol
PubChem CID91525335
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-but-2-en-2-yl-1-methylpiperidin-4-ol
SMILESCC=C(C)C1(O)CCN(C)CC1
InChIInChI=1S/C10H19NO/c1-4-9(2)10(12)5-7-11(3)8-6-10/h4,12H,5-8H2,1-3H3
InChIKeyXANUXVKXMHRQGO-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-2-(4-hydroxy-1-methylpiperidin-4-yl)ethenyl]-1-methylpiperidin-4-ol
CID 5358821
4-[(Z)-3-hydroxy-3-methylbut-1-enyl]-1-methylpiperidin-4-ol;hydrochloride
CID 12283011
4-(3-Hydroxy-3-methyl-1-butenyl)-1-methyl-4-piperidinol
CID 12283012
1-Methyl-4-vinylpiperidin-4-ol
CID 10374544
4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 134365797
1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143177636
4-[(E)-3,3-difluoroprop-1-enyl]-1-methylpiperidin-4-ol
CID 144699610
1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol
CID 146582433
1-Tert-butyl-4-(4,4,4-trifluorobut-1-enyl)piperidin-4-ol
CID 173550945
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ol
CID 297114
2,5-Heptadien-4-ol, 3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethyl]-
CID 5367883
3,5-Dimethyl-4-(2-pyrrolidin-1-ylethyl)hepta-2,5-dien-4-ol
CID 558665

Frequently Asked Questions

What is the IUPAC name of 4-but-2-en-2-yl-1-methylpiperidin-4-ol?
The IUPAC name of 4-but-2-en-2-yl-1-methylpiperidin-4-ol (CID 91525335) is 4-but-2-en-2-yl-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-but-2-en-2-yl-1-methylpiperidin-4-ol?
The canonical SMILES for 4-but-2-en-2-yl-1-methylpiperidin-4-ol is CC=C(C)C1(O)CCN(C)CC1.
What is the InChIKey of 4-but-2-en-2-yl-1-methylpiperidin-4-ol?
The InChIKey is XANUXVKXMHRQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-9(2)10(12)5-7-11(3)8-6-10/h4,12H,5-8H2,1-3H3.
What are the key properties of 4-but-2-en-2-yl-1-methylpiperidin-4-ol?
4-but-2-en-2-yl-1-methylpiperidin-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-en-2-yl-1-methylpiperidin-4-ol is sourced from PubChem (CID 91525335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).