(2E)-2-(1-methylpiperidin-2-ylidene)ethanol

C8H15NO — CID 142275837

IUPAC(2E)-2-(1-methylpiperidin-2-ylidene)ethanol
SMILESCN1CCCC/C1=C\CO
InChIInChI=1S/C8H15NO/c1-9-6-3-2-4-8(9)5-7-10/h5,10H,2-4,6-7H2,1H3/b8-5+
InChIKeyGRGDMYJYHBZLND-VMPITWQZSA-N
MW141.21 g/mol
LogP0.98
Rot. Bonds1

About (2E)-2-(1-methylpiperidin-2-ylidene)ethanol

(2E)-2-(1-methylpiperidin-2-ylidene)ethanol (PubChem CID 142275837) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2E)-2-(1-methylpiperidin-2-ylidene)ethanol.

Molecular Properties

Compound Name(2E)-2-(1-methylpiperidin-2-ylidene)ethanol
PubChem CID142275837
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2E)-2-(1-methylpiperidin-2-ylidene)ethanol
SMILESCN1CCCC/C1=C\CO
InChIInChI=1S/C8H15NO/c1-9-6-3-2-4-8(9)5-7-10/h5,10H,2-4,6-7H2,1H3/b8-5+
InChIKeyGRGDMYJYHBZLND-VMPITWQZSA-N
XLogP0.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[Cyclohexen-1-yl(methyl)amino]ethanol
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2-(1-Methylpiperidin-4-ylidene)ethanol
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2-Piperidin-2-ylideneethanol
CID 67807310
(2E)-2-(1,2-dimethylpiperidin-4-ylidene)ethanol
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(2Z)-2-(1-methylpiperidin-2-ylidene)ethanol
CID 143430698
(1R,2Z)-1-amino-2-(1-methylpiperidin-2-ylidene)ethanol
CID 148040944
4-Methylidene-2,3,6,7,8,9-hexahydroquinolizin-2-ol
CID 174901090
(2E)-2-(1-methylpiperidin-3-ylidene)ethanol
CID 115011418
(Z)-3-(1-methylpiperidin-2-yl)prop-2-en-1-ol
CID 117266014
(Z)-3-(1-ethylpiperidin-2-yl)prop-2-en-1-ol
CID 117266015

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-methylpiperidin-2-ylidene)ethanol?
The IUPAC name of (2E)-2-(1-methylpiperidin-2-ylidene)ethanol (CID 142275837) is (2E)-2-(1-methylpiperidin-2-ylidene)ethanol.
What is the SMILES notation for (2E)-2-(1-methylpiperidin-2-ylidene)ethanol?
The canonical SMILES for (2E)-2-(1-methylpiperidin-2-ylidene)ethanol is CN1CCCC/C1=C\CO.
What is the InChIKey of (2E)-2-(1-methylpiperidin-2-ylidene)ethanol?
The InChIKey is GRGDMYJYHBZLND-VMPITWQZSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-6-3-2-4-8(9)5-7-10/h5,10H,2-4,6-7H2,1H3/b8-5+.
What are the key properties of (2E)-2-(1-methylpiperidin-2-ylidene)ethanol?
(2E)-2-(1-methylpiperidin-2-ylidene)ethanol has a molecular weight of 141.21 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-methylpiperidin-2-ylidene)ethanol is sourced from PubChem (CID 142275837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).