(3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol

C11H20N2O — CID 122237052

IUPAC(3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1N1C2CCCC1CC2
InChIInChI=1S/C11H20N2O/c14-11-7-12-6-10(11)13-8-2-1-3-9(13)5-4-8/h8-12,14H,1-7H2/t8?,9?,10-,11-/m1/s1
InChIKeyXFJASALEQSAEFV-JPPWEJMLSA-N
MW196.29 g/mol
LogP0.34
Rot. Bonds1

About (3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol

(3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol (PubChem CID 122237052) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol
PubChem CID122237052
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1N1C2CCCC1CC2
InChIInChI=1S/C11H20N2O/c14-11-7-12-6-10(11)13-8-2-1-3-9(13)5-4-8/h8-12,14H,1-7H2/t8?,9?,10-,11-/m1/s1
InChIKeyXFJASALEQSAEFV-JPPWEJMLSA-N
XLogP0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-(2,5-dimethylpyrrolidin-1-yl)pyrrolidin-3-ol;hydrochloride
CID 130610051
(3R,4R)-4-(8-azabicyclo[3.2.1]oct-2-en-8-yl)pyrrolidin-3-ol
CID 130653685
(3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 95118007
8-cyclobutyl-8-azabicyclo[3.2.1]octane
CID 23151234
(3R,4R)-4-(2-ethyl-5-methylpyrrolidin-1-yl)pyrrolidin-3-ol
CID 122236717
8-cyclononyl-6-methyl-3,8-diazabicyclo[3.2.1]octane
CID 121372028
(3R,4R)-4-(3,5-dimethylmorpholin-4-yl)pyrrolidin-3-ol;hydrochloride
CID 130652560
9-cyclobutyl-9-azabicyclo[3.3.1]nonane
CID 23151237
4-piperazin-1-ylpyrrolidin-3-ol
CID 63701856
(1R,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98113652
4-(3-methylpiperidin-1-yl)pyrrolidin-3-ol
CID 63703939
(3S,4S)-4-(triazol-1-yl)pyrrolidin-3-ol
CID 45083067

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol (CID 122237052) is (3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol is O[C@@H]1CNC[C@H]1N1C2CCCC1CC2.
What is the InChIKey of (3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol?
The InChIKey is XFJASALEQSAEFV-JPPWEJMLSA-N. The full InChI is InChI=1S/C11H20N2O/c14-11-7-12-6-10(11)13-8-2-1-3-9(13)5-4-8/h8-12,14H,1-7H2/t8?,9?,10-,11-/m1/s1.
What are the key properties of (3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol?
(3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol has a molecular weight of 196.29 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(8-azabicyclo[3.2.1]octan-8-yl)pyrrolidin-3-ol is sourced from PubChem (CID 122237052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).