[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol

C12H23NO3 — CID 62013774

IUPAC[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCOC1CCCCO1
InChIInChI=1S/C12H23NO3/c14-10-11-4-3-6-13(11)7-9-16-12-5-1-2-8-15-12/h11-12,14H,1-10H2
InChIKeyMTTIAWZLKLYOMC-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.99
Rot. Bonds5

About [1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol

[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol (PubChem CID 62013774) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is [1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol
PubChem CID62013774
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCOC1CCCCO1
InChIInChI=1S/C12H23NO3/c14-10-11-4-3-6-13(11)7-9-16-12-5-1-2-8-15-12/h11-12,14H,1-10H2
InChIKeyMTTIAWZLKLYOMC-UHFFFAOYSA-N
XLogP0.99
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-cycloheptyloxyethyl)piperidin-2-yl]methanol
CID 111448204
2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol
CID 63312916
[1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62014346
[1-(2-methoxyethyl)pyrrolidin-2-yl]methanol;sulfane
CID 159917406
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrrolidin-2-yl]methanol
CID 140851328
[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methanol
CID 112734321
1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole
CID 124862282
1,5-dimethyl-4-[(2S)-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole
CID 100668330
[1-[2-(3-methylbutoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013980
[(2R)-1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]methanol
CID 100627976
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873

Frequently Asked Questions

What is the IUPAC name of [1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol (CID 62013774) is [1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CCOC1CCCCO1.
What is the InChIKey of [1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is MTTIAWZLKLYOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c14-10-11-4-3-6-13(11)7-9-16-12-5-1-2-8-15-12/h11-12,14H,1-10H2.
What are the key properties of [1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol?
[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 229.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62013774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).