[(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol

C22H37NO2 — CID 162650307

IUPAC[(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCCCCCCCCCCOc1ccc(CN2CCC[C@@H]2CO)cc1
InChIInChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-17-25-22-14-12-20(13-15-22)18-23-16-10-11-21(23)19-24/h12-15,21,24H,2-11,16-19H2,1H3/t21-/m1/s1
InChIKeyOEDUGPOUOMIMAZ-OAQYLSRUSA-N
MW347.54 g/mol
LogP5.16
Rot. Bonds13

About [(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 162650307) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is [(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID162650307
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC Name[(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCCCCCCCCCCOc1ccc(CN2CCC[C@@H]2CO)cc1
InChIInChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-17-25-22-14-12-20(13-15-22)18-23-16-10-11-21(23)19-24/h12-15,21,24H,2-11,16-19H2,1H3/t21-/m1/s1
InChIKeyOEDUGPOUOMIMAZ-OAQYLSRUSA-N
XLogP5.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 55.16
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

[(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 66689325
[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 75467118
[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
CID 14517943
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
[(2S)-1-[2-(4-dodecylphenyl)ethyl]pyrrolidin-2-yl]methanol
CID 72735622
[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 23961585
[(2S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 42127618
(1R,8aR)-1-cyclohexyl-2-[(4-hexoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124824271
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 110921436
(2S,3R,4R,5S)-1-[(4-butoxyphenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 11461522
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol (CID 162650307) is [(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol is CCCCCCCCCCOc1ccc(CN2CCC[C@@H]2CO)cc1.
What is the InChIKey of [(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is OEDUGPOUOMIMAZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-17-25-22-14-12-20(13-15-22)18-23-16-10-11-21(23)19-24/h12-15,21,24H,2-11,16-19H2,1H3/t21-/m1/s1.
What are the key properties of [(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 347.54 g/mol, XLogP of 5.16, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 162650307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).