4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol

C11H24N2O — CID 79135325

IUPAC4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol
SMILESCC(C)(CN)C(C)(O)C1CCCNC1
InChIInChI=1S/C11H24N2O/c1-10(2,8-12)11(3,14)9-5-4-6-13-7-9/h9,13-14H,4-8,12H2,1-3H3
InChIKeyXYOMHOQONCJLKX-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.72
Rot. Bonds3

About 4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol

4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol (PubChem CID 79135325) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol
PubChem CID79135325
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol
SMILESCC(C)(CN)C(C)(O)C1CCCNC1
InChIInChI=1S/C11H24N2O/c1-10(2,8-12)11(3,14)9-5-4-6-13-7-9/h9,13-14H,4-8,12H2,1-3H3
InChIKeyXYOMHOQONCJLKX-UHFFFAOYSA-N
XLogP0.72
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-piperidin-3-ylbutan-2-ol
CID 63586087
(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol
CID 171842996
5,5-dimethyl-2-piperidin-3-ylhexan-2-ol
CID 65146059
2-piperidin-3-ylpentan-2-ol
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(3R)-3-tert-butylpiperidine
CID 59772800
1-cycloheptyl-1-piperidin-3-ylethanol
CID 82929213
2-methyl-2-piperidin-3-ylpropan-1-ol
CID 83200214
2-piperidin-3-yloctan-2-ol
CID 65146111
(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
2-hydroxy-2-piperidin-3-ylpropanenitrile
CID 173142831

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol?
The IUPAC name of 4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol (CID 79135325) is 4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol.
What is the SMILES notation for 4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol?
The canonical SMILES for 4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol is CC(C)(CN)C(C)(O)C1CCCNC1.
What is the InChIKey of 4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol?
The InChIKey is XYOMHOQONCJLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(2,8-12)11(3,14)9-5-4-6-13-7-9/h9,13-14H,4-8,12H2,1-3H3.
What are the key properties of 4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol?
4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol is sourced from PubChem (CID 79135325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).