[(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol

C14H27NO2 — CID 114192421

IUPAC[(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1CCCCC1CCOCC1
InChIInChI=1S/C14H27NO2/c16-12-14-5-3-9-15(14)8-2-1-4-13-6-10-17-11-7-13/h13-14,16H,1-12H2/t14-/m1/s1
InChIKeyDMIIARQUBKQZCJ-CQSZACIVSA-N
MW241.37 g/mol
LogP2.04
Rot. Bonds6

About [(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol

[(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol (PubChem CID 114192421) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is [(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol
PubChem CID114192421
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name[(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1CCCCC1CCOCC1
InChIInChI=1S/C14H27NO2/c16-12-14-5-3-9-15(14)8-2-1-4-13-6-10-17-11-7-13/h13-14,16H,1-12H2/t14-/m1/s1
InChIKeyDMIIARQUBKQZCJ-CQSZACIVSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.04
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
[(2R)-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-yl]methanol
CID 111487572
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride
CID 175453731
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428
7-[2-(hydroxymethyl)pyrrolidin-1-yl]heptanoic acid
CID 174218566
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
CID 21144774
1-[4-(oxan-4-yl)butyl]piperazine
CID 116928640
[1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol
CID 115905715
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 78942440

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol (CID 114192421) is [(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1CCCCC1CCOCC1.
What is the InChIKey of [(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol?
The InChIKey is DMIIARQUBKQZCJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H27NO2/c16-12-14-5-3-9-15(14)8-2-1-4-13-6-10-17-11-7-13/h13-14,16H,1-12H2/t14-/m1/s1.
What are the key properties of [(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol has a molecular weight of 241.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(oxan-4-yl)butyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 114192421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).