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

C12H23NO2 — CID 62610621

IUPAC2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol
SMILESOCC1CCCN1CC1CCCCC1O
InChIInChI=1S/C12H23NO2/c14-9-11-5-3-7-13(11)8-10-4-1-2-6-12(10)15/h10-12,14-15H,1-9H2
InChIKeyHCIBYTKDVZKTHX-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.99
Rot. Bonds3

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

2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 62610621) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID62610621
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol
SMILESOCC1CCCN1CC1CCCCC1O
InChIInChI=1S/C12H23NO2/c14-9-11-5-3-7-13(11)8-10-4-1-2-6-12(10)15/h10-12,14-15H,1-9H2
InChIKeyHCIBYTKDVZKTHX-UHFFFAOYSA-N
XLogP0.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol (CID 62610621) is 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol is OCC1CCCN1CC1CCCCC1O.
What is the InChIKey of 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is HCIBYTKDVZKTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-9-11-5-3-7-13(11)8-10-4-1-2-6-12(10)15/h10-12,14-15H,1-9H2.
What are the key properties of 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol?
2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62610621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).