2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol

C11H21NO2 — CID 115771115

IUPAC2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
SMILESC=C(C)CN1CCC(OCCO)CC1
InChIInChI=1S/C11H21NO2/c1-10(2)9-12-5-3-11(4-6-12)14-8-7-13/h11,13H,1,3-9H2,2H3
InChIKeyZRLOXDXWSZVCNH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.04
Rot. Bonds5

About 2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol

2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol (PubChem CID 115771115) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
PubChem CID115771115
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
SMILESC=C(C)CN1CCC(OCCO)CC1
InChIInChI=1S/C11H21NO2/c1-10(2)9-12-5-3-11(4-6-12)14-8-7-13/h11,13H,1,3-9H2,2H3
InChIKeyZRLOXDXWSZVCNH-UHFFFAOYSA-N
XLogP1.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
CID 106439882
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol
CID 103071117
2-[4-(2-hydroxyethoxy)piperidin-1-yl]acetohydrazide
CID 82701189
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 115773133
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylbut-2-enoic acid
CID 82690958
1-(2-methylprop-2-enyl)-4-(2-methylpropyl)piperidine
CID 155706752
2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol
CID 82693649
2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone
CID 82691118
1-(3,4-dimethylphenyl)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82016086
2-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]oxyethanol
CID 115771131
3-cyclohexyloxy-1-(2-methylprop-2-enyl)pyrrolidine
CID 145355701

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol (CID 115771115) is 2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol is C=C(C)CN1CCC(OCCO)CC1.
What is the InChIKey of 2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol?
The InChIKey is ZRLOXDXWSZVCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)9-12-5-3-11(4-6-12)14-8-7-13/h11,13H,1,3-9H2,2H3.
What are the key properties of 2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol?
2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol has a molecular weight of 199.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 115771115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).