1-hydroxy-4-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)-2,2-dimethylpyrrolidine

C12H24N2O2 — CID 131843643

IUPAC1-hydroxy-4-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)-2,2-dimethylpyrrolidine
SMILESCC1(C)CC(C2CCC(C)(C)N2O)CN1O
InChIInChI=1S/C12H24N2O2/c1-11(2)6-5-10(14(11)16)9-7-12(3,4)13(15)8-9/h9-10,15-16H,5-8H2,1-4H3
InChIKeyBEJCICJADDMQSR-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.11
Rot. Bonds1

About 1-hydroxy-4-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)-2,2-dimethylpyrrolidine

1-hydroxy-4-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)-2,2-dimethylpyrrolidine (PubChem CID 131843643) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-hydroxy-4-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name1-hydroxy-4-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)-2,2-dimethylpyrrolidine
PubChem CID131843643
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-hydroxy-4-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)-2,2-dimethylpyrrolidine
SMILESCC1(C)CC(C2CCC(C)(C)N2O)CN1O
InChIInChI=1S/C12H24N2O2/c1-11(2)6-5-10(14(11)16)9-7-12(3,4)13(15)8-9/h9-10,15-16H,5-8H2,1-4H3
InChIKeyBEJCICJADDMQSR-UHFFFAOYSA-N
XLogP2.11
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-bromo-1-hydroxy-2,2,6,6-tetramethylpiperidine
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1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid
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2,2-dimethyl-1-azabicyclo[2.1.0]pentane
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N-(1-hydroxy-2,2-dimethylpiperidin-4-yl)-N-methylacetamide
CID 142013410
1-hydroxy-2,2,4,6,6-pentamethylpiperidine
CID 162143693
1-tert-butylsulfonyl-6,6-dimethylpiperidin-3-ol
CID 115276188
1-cyclopentylsulfonyl-6,6-dimethylpiperidin-3-ol
CID 115276192
1-hydroxy-2,2,5,5-tetramethylpyrrolidine;methanol
CID 173152418
(1-cyclopentyl-4-methylpiperidin-4-yl)methanol
CID 83915889
1-(5-amino-2,2-dimethylpiperidin-1-yl)ethanone
CID 115269503

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)-2,2-dimethylpyrrolidine?
The IUPAC name of 1-hydroxy-4-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)-2,2-dimethylpyrrolidine (CID 131843643) is 1-hydroxy-4-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)-2,2-dimethylpyrrolidine.
What is the SMILES notation for 1-hydroxy-4-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)-2,2-dimethylpyrrolidine?
The canonical SMILES for 1-hydroxy-4-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)-2,2-dimethylpyrrolidine is CC1(C)CC(C2CCC(C)(C)N2O)CN1O.
What is the InChIKey of 1-hydroxy-4-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)-2,2-dimethylpyrrolidine?
The InChIKey is BEJCICJADDMQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2)6-5-10(14(11)16)9-7-12(3,4)13(15)8-9/h9-10,15-16H,5-8H2,1-4H3.
What are the key properties of 1-hydroxy-4-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)-2,2-dimethylpyrrolidine?
1-hydroxy-4-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)-2,2-dimethylpyrrolidine has a molecular weight of 228.34 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(1-hydroxy-5,5-dimethylpyrrolidin-2-yl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 131843643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).