(3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol

C10H20N2O2 — CID 130906068

IUPAC(3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol
SMILESOC[C@@H]1CCCCN1[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H20N2O2/c13-7-8-3-1-2-4-12(8)9-5-11-6-10(9)14/h8-11,13-14H,1-7H2/t8-,9+,10+/m0/s1
InChIKeyLJCIIUCXKCLVED-IVZWLZJFSA-N
MW200.28 g/mol
LogP-0.83
Rot. Bonds2

About (3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol

(3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol (PubChem CID 130906068) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol
PubChem CID130906068
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol
SMILESOC[C@@H]1CCCCN1[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H20N2O2/c13-7-8-3-1-2-4-12(8)9-5-11-6-10(9)14/h8-11,13-14H,1-7H2/t8-,9+,10+/m0/s1
InChIKeyLJCIIUCXKCLVED-IVZWLZJFSA-N
XLogP-0.83
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2S)-2-[2-(hydroxymethyl)piperidin-1-yl]cyclopentan-1-ol
CID 102734441
2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazin-4-ylmethanol
CID 84653848
(3S,4R)-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 95118007
2-[2-(hydroxymethyl)piperidin-1-yl]cycloheptane-1-carbonitrile
CID 61406591
(1-hydroxypiperidin-2-yl)methanol
CID 91286383
1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-4-ylmethanol
CID 59215878
[1-[2-(aminomethyl)cyclohexyl]pyrrolidin-2-yl]methanol
CID 61407519
2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolidin-3-ol
CID 54174381
trans-(1S,2S)-2-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 102731877
[1-(oxan-4-yl)piperidin-2-yl]methanol
CID 63937117
[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]methanol
CID 11344137
4-piperazin-1-ylpyrrolidin-3-ol
CID 63701856

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol (CID 130906068) is (3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol is OC[C@@H]1CCCCN1[C@@H]1CNC[C@H]1O.
What is the InChIKey of (3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol?
The InChIKey is LJCIIUCXKCLVED-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H20N2O2/c13-7-8-3-1-2-4-12(8)9-5-11-6-10(9)14/h8-11,13-14H,1-7H2/t8-,9+,10+/m0/s1.
What are the key properties of (3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol?
(3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol has a molecular weight of 200.28 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyrrolidin-3-ol is sourced from PubChem (CID 130906068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).