2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol

C15H27NO3 — CID 128965505

IUPAC2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOCC1(CN2CCCC2C2CCCCC2O)COC1
InChIInChI=1S/C15H27NO3/c17-9-15(10-19-11-15)8-16-7-3-5-13(16)12-4-1-2-6-14(12)18/h12-14,17-18H,1-11H2
InChIKeyJCFHIXFRVYZFHA-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.01
Rot. Bonds4

About 2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 128965505) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID128965505
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOCC1(CN2CCCC2C2CCCCC2O)COC1
InChIInChI=1S/C15H27NO3/c17-9-15(10-19-11-15)8-16-7-3-5-13(16)12-4-1-2-6-14(12)18/h12-14,17-18H,1-11H2
InChIKeyJCFHIXFRVYZFHA-UHFFFAOYSA-N
XLogP1.01
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 128965505) is 2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol is OCC1(CN2CCCC2C2CCCCC2O)COC1.
What is the InChIKey of 2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is JCFHIXFRVYZFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-9-15(10-19-11-15)8-16-7-3-5-13(16)12-4-1-2-6-14(12)18/h12-14,17-18H,1-11H2.
What are the key properties of 2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 269.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 128965505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).