[(3R,8R)-3-(pyrrolidin-1-ylmethoxymethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrofluoride

C15H29FN2O3 — CID 177009113

IUPAC[(3R,8R)-3-(pyrrolidin-1-ylmethoxymethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrofluoride
SMILESF.OC[C@]12CCCN1[C@@H](COCOCN1CCCC1)CC2
InChIInChI=1S/C15H28N2O3.FH/c18-11-15-5-3-9-17(15)14(4-6-15)10-19-13-20-12-16-7-1-2-8-16;/h14,18H,1-13H2;1H/t14-,15-;/m1./s1
InChIKeyKZJKEZBGIIVKGC-CTHHTMFSSA-N
MW304.41 g/mol
LogP1.17
Rot. Bonds7

About [(3R,8R)-3-(pyrrolidin-1-ylmethoxymethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrofluoride

[(3R,8R)-3-(pyrrolidin-1-ylmethoxymethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrofluoride (PubChem CID 177009113) has the molecular formula C15H29FN2O3 and a molecular weight of 304.41 g/mol. Its IUPAC name is [(3R,8R)-3-(pyrrolidin-1-ylmethoxymethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrofluoride.

Molecular Properties

Compound Name[(3R,8R)-3-(pyrrolidin-1-ylmethoxymethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrofluoride
PubChem CID177009113
Molecular FormulaC15H29FN2O3
Molecular Weight304.41 g/mol
Exact Mass304.22
IUPAC Name[(3R,8R)-3-(pyrrolidin-1-ylmethoxymethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrofluoride
SMILESF.OC[C@]12CCCN1[C@@H](COCOCN1CCCC1)CC2
InChIInChI=1S/C15H28N2O3.FH/c18-11-15-5-3-9-17(15)14(4-6-15)10-19-13-20-12-16-7-1-2-8-16;/h14,18H,1-13H2;1H/t14-,15-;/m1./s1
InChIKeyKZJKEZBGIIVKGC-CTHHTMFSSA-N
XLogP1.17
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(3S,8S)-3-(cyclopropylmethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 175977298
[(3S,8S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 156598778
[(3S,8S)-3-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 170367508
[(3R,8R)-8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-methylcarbamate
CID 166533142
[(8R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 167381124
[(3R,8R)-8-(iodooxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl pyrrolidine-1-carboxylate
CID 169181916
[(3S,8R)-8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N-decyl-N-methylcarbamate
CID 175977717
[(3S,8S)-3-[[6-(difluoromethyl)pyrimidin-4-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 169315432
[(3R)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl 4-ethylpiperazine-1-carboxylate
CID 169000360
8-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizine
CID 176568432
[8-(methylaminomethyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methanol
CID 167179789
[(3R,8R)-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl morpholine-4-carboxylate
CID 176748028

Frequently Asked Questions

What is the IUPAC name of [(3R,8R)-3-(pyrrolidin-1-ylmethoxymethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrofluoride?
The IUPAC name of [(3R,8R)-3-(pyrrolidin-1-ylmethoxymethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrofluoride (CID 177009113) is [(3R,8R)-3-(pyrrolidin-1-ylmethoxymethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrofluoride.
What is the SMILES notation for [(3R,8R)-3-(pyrrolidin-1-ylmethoxymethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrofluoride?
The canonical SMILES for [(3R,8R)-3-(pyrrolidin-1-ylmethoxymethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrofluoride is F.OC[C@]12CCCN1[C@@H](COCOCN1CCCC1)CC2.
What is the InChIKey of [(3R,8R)-3-(pyrrolidin-1-ylmethoxymethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrofluoride?
The InChIKey is KZJKEZBGIIVKGC-CTHHTMFSSA-N. The full InChI is InChI=1S/C15H28N2O3.FH/c18-11-15-5-3-9-17(15)14(4-6-15)10-19-13-20-12-16-7-1-2-8-16;/h14,18H,1-13H2;1H/t14-,15-;/m1./s1.
What are the key properties of [(3R,8R)-3-(pyrrolidin-1-ylmethoxymethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrofluoride?
[(3R,8R)-3-(pyrrolidin-1-ylmethoxymethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrofluoride has a molecular weight of 304.41 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,8R)-3-(pyrrolidin-1-ylmethoxymethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;hydrofluoride is sourced from PubChem (CID 177009113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).