1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol

C11H22ClNO2 — CID 106837357

IUPAC1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCOCCCl)CC1
InChIInChI=1S/C11H22ClNO2/c1-10(14)11-2-5-13(6-3-11)7-9-15-8-4-12/h10-11,14H,2-9H2,1H3
InChIKeyIIGKJENUCDUDJP-UHFFFAOYSA-N
MW235.75 g/mol
LogP1.33
Rot. Bonds6

About 1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol

1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol (PubChem CID 106837357) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is 1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol
PubChem CID106837357
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Name1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCOCCCl)CC1
InChIInChI=1S/C11H22ClNO2/c1-10(14)11-2-5-13(6-3-11)7-9-15-8-4-12/h10-11,14H,2-9H2,1H3
InChIKeyIIGKJENUCDUDJP-UHFFFAOYSA-N
XLogP1.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]ethanol
CID 103684371
(1R)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethanol
CID 129386330
1-(1-heptylpiperidin-4-yl)ethanol
CID 103688705
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
3-[4-[2-(2-chloroethoxy)ethyl]piperidin-1-yl]propan-1-ol
CID 67282001
1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol
CID 102964300
1-[2-(2-chloroethoxy)ethyl]-4-(pyrrolidin-1-ylmethyl)piperidine
CID 63666891
1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol
CID 106837078
1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol
CID 111114119
3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one
CID 170541307
1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
CID 103658614
1-(2-butoxyethyl)-4-(2-chloroethyl)piperazine
CID 63386670

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol (CID 106837357) is 1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol is CC(O)C1CCN(CCOCCCl)CC1.
What is the InChIKey of 1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol?
The InChIKey is IIGKJENUCDUDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2/c1-10(14)11-2-5-13(6-3-11)7-9-15-8-4-12/h10-11,14H,2-9H2,1H3.
What are the key properties of 1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol?
1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol has a molecular weight of 235.75 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106837357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).