3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol

C12H25NO — CID 62331854

IUPAC3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
SMILESCC1CCN(CC(C)(C)CO)C(C)C1
InChIInChI=1S/C12H25NO/c1-10-5-6-13(11(2)7-10)8-12(3,4)9-14/h10-11,14H,5-9H2,1-4H3
InChIKeyXVHAIBJZTAVHMH-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.13
Rot. Bonds3

About 3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol

3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol (PubChem CID 62331854) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
PubChem CID62331854
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
SMILESCC1CCN(CC(C)(C)CO)C(C)C1
InChIInChI=1S/C12H25NO/c1-10-5-6-13(11(2)7-10)8-12(3,4)9-14/h10-11,14H,5-9H2,1-4H3
InChIKeyXVHAIBJZTAVHMH-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol (CID 62331854) is 3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol is CC1CCN(CC(C)(C)CO)C(C)C1.
What is the InChIKey of 3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is XVHAIBJZTAVHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10-5-6-13(11(2)7-10)8-12(3,4)9-14/h10-11,14H,5-9H2,1-4H3.
What are the key properties of 3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol?
3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 62331854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).