1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol

C14H29NO — CID 58993905

IUPAC1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol
SMILESCC(C)(C)CC1(O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-12(2,3)11-14(16)7-9-15(10-8-14)13(4,5)6/h16H,7-11H2,1-6H3
InChIKeyGZDURQBQNQKDMM-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds1

About 1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol

1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol (PubChem CID 58993905) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol
PubChem CID58993905
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol
SMILESCC(C)(C)CC1(O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-12(2,3)11-14(16)7-9-15(10-8-14)13(4,5)6/h16H,7-11H2,1-6H3
InChIKeyGZDURQBQNQKDMM-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol?
The IUPAC name of 1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol (CID 58993905) is 1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol.
What is the SMILES notation for 1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol?
The canonical SMILES for 1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol is CC(C)(C)CC1(O)CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol?
The InChIKey is GZDURQBQNQKDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2,3)11-14(16)7-9-15(10-8-14)13(4,5)6/h16H,7-11H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol?
1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2,2-dimethylpropyl)piperidin-4-ol is sourced from PubChem (CID 58993905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).