(3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol

C8H16N2O — CID 95118007

IUPAC(3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol
SMILESO[C@H]1CNC[C@H]1N1CCCC1
InChIInChI=1S/C8H16N2O/c11-8-6-9-5-7(8)10-3-1-2-4-10/h7-9,11H,1-6H2/t7-,8+/m1/s1
InChIKeyXNAZVRGJPIDDOQ-SFYZADRCSA-N
MW156.23 g/mol
LogP-0.59
Rot. Bonds1

About (3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol

(3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol (PubChem CID 95118007) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol
PubChem CID95118007
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol
SMILESO[C@H]1CNC[C@H]1N1CCCC1
InChIInChI=1S/C8H16N2O/c11-8-6-9-5-7(8)10-3-1-2-4-10/h7-9,11H,1-6H2/t7-,8+/m1/s1
InChIKeyXNAZVRGJPIDDOQ-SFYZADRCSA-N
XLogP-0.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-piperazin-1-ylpyrrolidin-3-ol
CID 63701856
(3R,4R)-4-(1,4-thiazepan-4-yl)pyrrolidin-3-ol
CID 122236789
(3R,4R)-4-(1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol
CID 122236780
4-(3-methylpiperidin-1-yl)pyrrolidin-3-ol
CID 63703939
4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol
CID 63704462
4-[4-(dimethylamino)piperidin-1-yl]pyrrolidin-3-ol
CID 63702628
4-(4-hydroxypyrrolidin-3-yl)-1,4-diazepan-2-one
CID 65360905
1-[(3R,4R)-4-hydroxypyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 122236976
4-[4-(2-methylpropyl)piperazin-1-yl]pyrrolidin-3-ol
CID 63705001
4-(4-ethyl-4-methylpiperidin-1-yl)pyrrolidin-3-ol
CID 63702374
(3R,4R)-4-[(3R)-3-aminopyrrolidin-1-yl]pyrrolidin-3-ol
CID 130905202
4-(3,5-dimethylpiperidin-1-yl)pyrrolidin-3-ol
CID 63703405

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol?
The IUPAC name of (3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol (CID 95118007) is (3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol is O[C@H]1CNC[C@H]1N1CCCC1.
What is the InChIKey of (3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol?
The InChIKey is XNAZVRGJPIDDOQ-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16N2O/c11-8-6-9-5-7(8)10-3-1-2-4-10/h7-9,11H,1-6H2/t7-,8+/m1/s1.
What are the key properties of (3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol?
(3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol has a molecular weight of 156.23 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol is sourced from PubChem (CID 95118007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).