(3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol

C11H22N2O — CID 100811160

IUPAC(3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol
SMILESCC1(C)NCC[C@@H]1N1CCC[C@@H](O)C1
InChIInChI=1S/C11H22N2O/c1-11(2)10(5-6-12-11)13-7-3-4-9(14)8-13/h9-10,12,14H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyIWPLPUHCKYAKQK-ZJUUUORDSA-N
MW198.31 g/mol
LogP0.58
Rot. Bonds1

About (3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol

(3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol (PubChem CID 100811160) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol
PubChem CID100811160
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol
SMILESCC1(C)NCC[C@@H]1N1CCC[C@@H](O)C1
InChIInChI=1S/C11H22N2O/c1-11(2)10(5-6-12-11)13-7-3-4-9(14)8-13/h9-10,12,14H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyIWPLPUHCKYAKQK-ZJUUUORDSA-N
XLogP0.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-pyrrolidin-1-ylpyrrolidine
CID 71669027
4-[(3R)-2,2-dimethylpyrrolidin-3-yl]morpholine
CID 99868070
1-(4-bromophenyl)-4-(2,2-dimethylpyrrolidin-3-yl)piperazine
CID 117017904
(3R)-1-cyclooctylpiperidin-3-ol
CID 129493857
2,2-dimethylpyrrolidin-3-ol
CID 71669042
(3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol
CID 86340887
4-(2,2-dimethylpyrrolidin-3-yl)-1,2,4-triazole
CID 130698799
(3S)-3-[(3S)-3-hydroxypiperidin-1-yl]piperidin-2-one
CID 129349004
(3R)-3-[(3S)-3-hydroxypiperidin-1-yl]piperidin-2-one
CID 129349003
1-(thian-3-yl)piperidin-3-ol
CID 83831950
(2R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2,8-diol
CID 10820830
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol?
The IUPAC name of (3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol (CID 100811160) is (3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol is CC1(C)NCC[C@@H]1N1CCC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol?
The InChIKey is IWPLPUHCKYAKQK-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)10(5-6-12-11)13-7-3-4-9(14)8-13/h9-10,12,14H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol?
(3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol has a molecular weight of 198.31 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3S)-2,2-dimethylpyrrolidin-3-yl]piperidin-3-ol is sourced from PubChem (CID 100811160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).