[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol

C22H37NO2 — CID 14517943

IUPAC[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CCCCCCCCCCCOc1ccccc1
InChIInChI=1S/C22H37NO2/c24-20-21-14-13-18-23(21)17-11-6-4-2-1-3-5-7-12-19-25-22-15-9-8-10-16-22/h8-10,15-16,21,24H,1-7,11-14,17-20H2/t21-/m0/s1
InChIKeyFJSZFYUSAPTXGS-NRFANRHFSA-N
MW347.54 g/mol
LogP5.03
Rot. Bonds14

About [(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol

[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol (PubChem CID 14517943) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is [(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
PubChem CID14517943
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC Name[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CCCCCCCCCCCOc1ccccc1
InChIInChI=1S/C22H37NO2/c24-20-21-14-13-18-23(21)17-11-6-4-2-1-3-5-7-12-19-25-22-15-9-8-10-16-22/h8-10,15-16,21,24H,1-7,11-14,17-20H2/t21-/m0/s1
InChIKeyFJSZFYUSAPTXGS-NRFANRHFSA-N
XLogP5.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 55.03
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

[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
2-[2-[3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propoxy]phenyl]acetic acid
CID 54464897
(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
CID 141200367
[1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-yl]methanol
CID 20619549
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
[1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol
CID 61406719
4-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 14615613
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
4-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 78942373
2-(2-bromoethyl)-1-(3-phenoxypropyl)piperidine
CID 80671046
[(2R)-1-[(4-decoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 162650307
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60685168

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol (CID 14517943) is [(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1CCCCCCCCCCCOc1ccccc1.
What is the InChIKey of [(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol?
The InChIKey is FJSZFYUSAPTXGS-NRFANRHFSA-N. The full InChI is InChI=1S/C22H37NO2/c24-20-21-14-13-18-23(21)17-11-6-4-2-1-3-5-7-12-19-25-22-15-9-8-10-16-22/h8-10,15-16,21,24H,1-7,11-14,17-20H2/t21-/m0/s1.
What are the key properties of [(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol has a molecular weight of 347.54 g/mol, XLogP of 5.03, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 14517943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).