2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol

C11H20ClNO2 — CID 106439882

IUPAC2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
SMILESCC(=CCl)CN1CCC(OCCO)CC1
InChIInChI=1S/C11H20ClNO2/c1-10(8-12)9-13-4-2-11(3-5-13)15-7-6-14/h8,11,14H,2-7,9H2,1H3
InChIKeyWLUSTZVUZQDQAK-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.60
Rot. Bonds5

About 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol

2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol (PubChem CID 106439882) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
PubChem CID106439882
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
SMILESCC(=CCl)CN1CCC(OCCO)CC1
InChIInChI=1S/C11H20ClNO2/c1-10(8-12)9-13-4-2-11(3-5-13)15-7-6-14/h8,11,14H,2-7,9H2,1H3
InChIKeyWLUSTZVUZQDQAK-UHFFFAOYSA-N
XLogP1.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloroethoxy)-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106440040
2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
CID 115771115
4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106439936
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-methylbut-2-enoic acid
CID 82690958
2-[4-(2-hydroxyethoxy)piperidin-1-yl]acetohydrazide
CID 82701189
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 115773133
2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol
CID 103071117
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol (CID 106439882) is 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol is CC(=CCl)CN1CCC(OCCO)CC1.
What is the InChIKey of 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol?
The InChIKey is WLUSTZVUZQDQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-10(8-12)9-13-4-2-11(3-5-13)15-7-6-14/h8,11,14H,2-7,9H2,1H3.
What are the key properties of 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol?
2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol has a molecular weight of 233.74 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 106439882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).