2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol

C11H21NO — CID 142215769

IUPAC2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol
SMILESC/C=C/CN1CCC(CCO)CC1
InChIInChI=1S/C11H21NO/c1-2-3-7-12-8-4-11(5-9-12)6-10-13/h2-3,11,13H,4-10H2,1H3/b3-2+
InChIKeyMZTHALBHKMDVGM-NSCUHMNNSA-N
MW183.30 g/mol
LogP1.66
Rot. Bonds4

About 2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol

2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol (PubChem CID 142215769) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol
PubChem CID142215769
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol
SMILESC/C=C/CN1CCC(CCO)CC1
InChIInChI=1S/C11H21NO/c1-2-3-7-12-8-4-11(5-9-12)6-10-13/h2-3,11,13H,4-10H2,1H3/b3-2+
InChIKeyMZTHALBHKMDVGM-NSCUHMNNSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

(1-Prop-2-enylpiperidin-3-yl)methanol
CID 14781225
(3-Fluoro-1-prop-2-enylpiperidin-3-yl)methanol
CID 130708822
[3-Fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol
CID 167848859
2-[1-[(E)-3-tributylstannylprop-2-enyl]piperidin-4-yl]ethanol
CID 10182900
[(3R)-1-prop-2-enylpiperidin-3-yl]methanol
CID 11084113
[2-[[Methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol
CID 18434211
2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
CID 21027121
actinium;2-[1-[(E)-4-methylpent-2-enyl]piperidin-4-yl]ethanol
CID 21027122
1-Prop-2-enylpiperidin-2-ol
CID 21714426
1,1-Bis(prop-2-enyl)piperidin-1-ium-2-ol bromide
CID 21714431
1-Allyl-4-hydroxymethylpiperidine
CID 60768656
2-[1-(3-Tributylstannylprop-2-enyl)piperidin-4-yl]ethanol
CID 69663845

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol (CID 142215769) is 2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol is C/C=C/CN1CCC(CCO)CC1.
What is the InChIKey of 2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol?
The InChIKey is MZTHALBHKMDVGM-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-7-12-8-4-11(5-9-12)6-10-13/h2-3,11,13H,4-10H2,1H3/b3-2+.
What are the key properties of 2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol?
2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol has a molecular weight of 183.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-but-2-enyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 142215769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).