[1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanol

C13H25NO2 — CID 112629230

IUPAC[1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CC2(CO)CCCCC2)C1
InChIInChI=1S/C13H25NO2/c15-9-12-4-7-14(8-12)10-13(11-16)5-2-1-3-6-13/h12,15-16H,1-11H2
InChIKeyMEZSHVQWOJBHNF-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.24
Rot. Bonds4

About [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanol

[1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 112629230) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanol
PubChem CID112629230
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CC2(CO)CCCCC2)C1
InChIInChI=1S/C13H25NO2/c15-9-12-4-7-14(8-12)10-13(11-16)5-2-1-3-6-13/h12,15-16H,1-11H2
InChIKeyMEZSHVQWOJBHNF-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexanemethanol, 1-[(dimethylamino)methyl]-
CID 10797269
[1-(Cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
[7a-(Hydroxymethyl)-2-methyl-1,3,4,5,6,7-hexahydroisoindol-3a-yl]methanol
CID 60006987
2-(Pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 62611100
[1-(3-Cyclohexylpropyl)-3-ethylpyrrolidin-3-yl]methanol
CID 123286887
(2-Hydroxy-2-azaspiro[4.5]decan-8-yl)methanol
CID 141895365
2-[[2-(3-Hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol
CID 55076562
[1-[[2-Methylpropyl(propan-2-yl)amino]methyl]cyclohexyl]methanol
CID 62265309
[1-[[1-(Hydroxymethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol
CID 62265472
[1-[[Cyclohexylmethyl(methyl)amino]methyl]cyclopentyl]methanol
CID 62265840
[1-[(2-Cyclopentylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
CID 62265981
2-[[1-(Hydroxymethyl)cyclohexyl]methyl-propylamino]ethanol
CID 62265985

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanol (CID 112629230) is [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanol is OCC1CCN(CC2(CO)CCCCC2)C1.
What is the InChIKey of [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is MEZSHVQWOJBHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c15-9-12-4-7-14(8-12)10-13(11-16)5-2-1-3-6-13/h12,15-16H,1-11H2.
What are the key properties of [1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanol?
[1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 227.35 g/mol, XLogP of 1.24, 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-3-yl]methanol is sourced from PubChem (CID 112629230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).