2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol

C13H27NO4 — CID 173373058

IUPAC2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol
SMILESOCCOCCC(CCOCCO)C1CCCN1
InChIInChI=1S/C13H27NO4/c15-6-10-17-8-3-12(4-9-18-11-7-16)13-2-1-5-14-13/h12-16H,1-11H2
InChIKeyYZGHRTZCESYXED-UHFFFAOYSA-N
MW261.36 g/mol
LogP0.15
Rot. Bonds11

About 2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol

2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol (PubChem CID 173373058) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol.

Molecular Properties

Compound Name2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol
PubChem CID173373058
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol
SMILESOCCOCCC(CCOCCO)C1CCCN1
InChIInChI=1S/C13H27NO4/c15-6-10-17-8-3-12(4-9-18-11-7-16)13-2-1-5-14-13/h12-16H,1-11H2
InChIKeyYZGHRTZCESYXED-UHFFFAOYSA-N
XLogP0.15
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-2-ylpropane-1,3-diol
CID 15749478
2-methoxy-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 164662041
(2R)-N-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxamide
CID 104901055
[(2S)-pyrrolidin-2-yl]methanedithiol
CID 91562431
(2S)-2-(dimethoxymethyl)pyrrolidine
CID 11658393
2-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethoxy]ethanol
CID 106617137
2-(2-piperidin-3-ylethoxy)ethanol
CID 104680589
2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol
CID 138712862
2-pentan-3-ylpiperidine
CID 4527381
(2S)-2-pentan-3-ylpiperidine
CID 7048107
(3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol
CID 97174949
ethyl 3-piperidin-2-ylpentanoate
CID 67315004

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol?
The IUPAC name of 2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol (CID 173373058) is 2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol.
What is the SMILES notation for 2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol?
The canonical SMILES for 2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol is OCCOCCC(CCOCCO)C1CCCN1.
What is the InChIKey of 2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol?
The InChIKey is YZGHRTZCESYXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c15-6-10-17-8-3-12(4-9-18-11-7-16)13-2-1-5-14-13/h12-16H,1-11H2.
What are the key properties of 2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol?
2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol has a molecular weight of 261.36 g/mol, XLogP of 0.15, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol is sourced from PubChem (CID 173373058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).