[1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol

C13H25NO2 — CID 62265472

IUPAC[1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1(CO)CCCCC1
InChIInChI=1S/C13H25NO2/c15-9-12-5-4-8-14(12)10-13(11-16)6-2-1-3-7-13/h12,15-16H,1-11H2
InChIKeyHYNORMZVIIWYSG-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.39
Rot. Bonds4

About [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol

[1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 62265472) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID62265472
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1(CO)CCCCC1
InChIInChI=1S/C13H25NO2/c15-9-12-5-4-8-14(12)10-13(11-16)6-2-1-3-7-13/h12,15-16H,1-11H2
InChIKeyHYNORMZVIIWYSG-UHFFFAOYSA-N
XLogP1.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol (CID 62265472) is [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CC1(CO)CCCCC1.
What is the InChIKey of [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is HYNORMZVIIWYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c15-9-12-5-4-8-14(12)10-13(11-16)6-2-1-3-7-13/h12,15-16H,1-11H2.
What are the key properties of [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol?
[1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 227.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62265472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).