[(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol

C11H21NO — CID 89297578

IUPAC[(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol
SMILESC/C=C1\CC(CC)CN(C)C1CO
InChIInChI=1S/C11H21NO/c1-4-9-6-10(5-2)11(8-13)12(3)7-9/h5,9,11,13H,4,6-8H2,1-3H3/b10-5+
InChIKeyRHRJGLBRTYRPDN-BJMVGYQFSA-N
MW183.30 g/mol
LogP1.66
Rot. Bonds2

About [(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol

[(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol (PubChem CID 89297578) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is [(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol
PubChem CID89297578
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name[(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol
SMILESC/C=C1\CC(CC)CN(C)C1CO
InChIInChI=1S/C11H21NO/c1-4-9-6-10(5-2)11(8-13)12(3)7-9/h5,9,11,13H,4,6-8H2,1-3H3/b10-5+
InChIKeyRHRJGLBRTYRPDN-BJMVGYQFSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.66
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

3,7-Dimethyl-2-piperidin-1-yloct-6-ene-1,3-diol
CID 19928738
3-(6-Methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol
CID 69286796
2-[3,5-Dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol
CID 123183755
(1-Methyl-5-propan-2-yl-2,3,4,7-tetrahydroazepin-2-yl)methanol
CID 172496622
[(2S)-1-methyl-5-propan-2-yl-2,3,4,7-tetrahydroazepin-2-yl]methanol
CID 172496646
[(2R)-1-methyl-5-propan-2-yl-2,3,4,7-tetrahydroazepin-2-yl]methanol
CID 172496784
2-[3,5-dimethyl-1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]ethanol
CID 173535528
[(2S,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol
CID 10654645
[(2R,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]methanol
CID 10702243
2-[1-(Cyclohex-3-en-1-ylmethyl)piperidin-2-yl]ethanol
CID 109926170
1-[1-(Cyclohex-3-en-1-ylmethyl)piperidin-2-yl]ethanol
CID 109931701
[1-(Cyclohex-3-en-1-ylmethyl)piperidin-2-yl]methanol
CID 115879646

Frequently Asked Questions

What is the IUPAC name of [(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol?
The IUPAC name of [(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol (CID 89297578) is [(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol?
The canonical SMILES for [(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol is C/C=C1\CC(CC)CN(C)C1CO.
What is the InChIKey of [(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol?
The InChIKey is RHRJGLBRTYRPDN-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-9-6-10(5-2)11(8-13)12(3)7-9/h5,9,11,13H,4,6-8H2,1-3H3/b10-5+.
What are the key properties of [(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol?
[(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol has a molecular weight of 183.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 89297578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).