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

C14H27NO2 — CID 64581790

IUPAC[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methanol
SMILESCOCC1CCN(CC2(CO)CCCCC2)C1
InChIInChI=1S/C14H27NO2/c1-17-10-13-5-8-15(9-13)11-14(12-16)6-3-2-4-7-14/h13,16H,2-12H2,1H3
InChIKeyNKTKMGZOPNLCGY-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.90
Rot. Bonds5

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

[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methanol (PubChem CID 64581790) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methanol
PubChem CID64581790
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methanol
SMILESCOCC1CCN(CC2(CO)CCCCC2)C1
InChIInChI=1S/C14H27NO2/c1-17-10-13-5-8-15(9-13)11-14(12-16)6-3-2-4-7-14/h13,16H,2-12H2,1H3
InChIKeyNKTKMGZOPNLCGY-UHFFFAOYSA-N
XLogP1.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methanol (CID 64581790) is [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methanol is COCC1CCN(CC2(CO)CCCCC2)C1.
What is the InChIKey of [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methanol?
The InChIKey is NKTKMGZOPNLCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-17-10-13-5-8-15(9-13)11-14(12-16)6-3-2-4-7-14/h13,16H,2-12H2,1H3.
What are the key properties of [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methanol?
[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methanol has a molecular weight of 241.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methanol is sourced from PubChem (CID 64581790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).