6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol

C12H25NO2 — CID 64597053

IUPAC6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol
SMILESCOCC1CCN(CCCCC(C)O)C1
InChIInChI=1S/C12H25NO2/c1-11(14)5-3-4-7-13-8-6-12(9-13)10-15-2/h11-12,14H,3-10H2,1-2H3
InChIKeyGLBYGQUMZXOZCV-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds7

About 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol

6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol (PubChem CID 64597053) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol.

Molecular Properties

Compound Name6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol
PubChem CID64597053
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol
SMILESCOCC1CCN(CCCCC(C)O)C1
InChIInChI=1S/C12H25NO2/c1-11(14)5-3-4-7-13-8-6-12(9-13)10-15-2/h11-12,14H,3-10H2,1-2H3
InChIKeyGLBYGQUMZXOZCV-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-(methoxymethyl)piperidin-1-yl]pentan-2-ol
CID 103274720
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine
CID 64570092
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990
5-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64570689
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine
CID 131222845
6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine
CID 63973848
1-[3-(methoxymethyl)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 64581992
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
CID 64570291
4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbutan-2-amine
CID 64568719
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
CID 64583951

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol?
The IUPAC name of 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol (CID 64597053) is 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol.
What is the SMILES notation for 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol?
The canonical SMILES for 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol is COCC1CCN(CCCCC(C)O)C1.
What is the InChIKey of 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol?
The InChIKey is GLBYGQUMZXOZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(14)5-3-4-7-13-8-6-12(9-13)10-15-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol?
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol is sourced from PubChem (CID 64597053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).