2-(2-methylpiperidin-4-ylidene)ethanol

C8H15NO — CID 123883502

IUPAC2-(2-methylpiperidin-4-ylidene)ethanol
SMILESCC1CC(=CCO)CCN1
InChIInChI=1S/C8H15NO/c1-7-6-8(3-5-10)2-4-9-7/h3,7,9-10H,2,4-6H2,1H3
InChIKeyBQGASTFJGZOXRJ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds1

About 2-(2-methylpiperidin-4-ylidene)ethanol

2-(2-methylpiperidin-4-ylidene)ethanol (PubChem CID 123883502) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(2-methylpiperidin-4-ylidene)ethanol.

Molecular Properties

Compound Name2-(2-methylpiperidin-4-ylidene)ethanol
PubChem CID123883502
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(2-methylpiperidin-4-ylidene)ethanol
SMILESCC1CC(=CCO)CCN1
InChIInChI=1S/C8H15NO/c1-7-6-8(3-5-10)2-4-9-7/h3,7,9-10H,2,4-6H2,1H3
InChIKeyBQGASTFJGZOXRJ-UHFFFAOYSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Piperidin-4-ylidene)ethan-1-ol
CID 18695533
2-Methyl-6-(methylamino)hept-2-en-1-ol
CID 54551357
1-(Cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol
CID 57116955
2-Piperidin-2-ylideneethanol
CID 67807310
2-Piperidin-4-ylidenepropan-1-ol
CID 68523339
(3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-2-ol
CID 70435115
9-(Cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
CID 70435118
(2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
CID 88662138
4-Methyl-2-piperidin-4-ylidenepent-4-en-1-ol
CID 89206023
(E)-2-methyl-6-(methylamino)hept-2-en-1-ol
CID 90284730
(Z)-2-methyl-6-(methylamino)hept-2-en-1-ol
CID 90285030
(2E)-2-piperidin-3-ylideneethanol
CID 115011142

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-4-ylidene)ethanol?
The IUPAC name of 2-(2-methylpiperidin-4-ylidene)ethanol (CID 123883502) is 2-(2-methylpiperidin-4-ylidene)ethanol.
What is the SMILES notation for 2-(2-methylpiperidin-4-ylidene)ethanol?
The canonical SMILES for 2-(2-methylpiperidin-4-ylidene)ethanol is CC1CC(=CCO)CCN1.
What is the InChIKey of 2-(2-methylpiperidin-4-ylidene)ethanol?
The InChIKey is BQGASTFJGZOXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-6-8(3-5-10)2-4-9-7/h3,7,9-10H,2,4-6H2,1H3.
What are the key properties of 2-(2-methylpiperidin-4-ylidene)ethanol?
2-(2-methylpiperidin-4-ylidene)ethanol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-4-ylidene)ethanol is sourced from PubChem (CID 123883502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).