(3R,4R)-1,4-ditert-butylpiperidin-3-ol

C13H27NO — CID 1415583

IUPAC(3R,4R)-1,4-ditert-butylpiperidin-3-ol
SMILESCC(C)(C)[C@H]1CCN(C(C)(C)C)C[C@@H]1O
InChIInChI=1S/C13H27NO/c1-12(2,3)10-7-8-14(9-11(10)15)13(4,5)6/h10-11,15H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKeyPFKQUXPGFSZDBN-QWRGUYRKSA-N
MW213.36 g/mol
LogP2.51
Rot. Bonds

About (3R,4R)-1,4-ditert-butylpiperidin-3-ol

(3R,4R)-1,4-ditert-butylpiperidin-3-ol (PubChem CID 1415583) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (3R,4R)-1,4-ditert-butylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1,4-ditert-butylpiperidin-3-ol
PubChem CID1415583
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(3R,4R)-1,4-ditert-butylpiperidin-3-ol
SMILESCC(C)(C)[C@H]1CCN(C(C)(C)C)C[C@@H]1O
InChIInChI=1S/C13H27NO/c1-12(2,3)10-7-8-14(9-11(10)15)13(4,5)6/h10-11,15H,7-9H2,1-6H3/t10-,11-/m0/s1
InChIKeyPFKQUXPGFSZDBN-QWRGUYRKSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-1,4-ditert-butylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,4-ditert-butylpiperidin-3-ol?
The IUPAC name of (3R,4R)-1,4-ditert-butylpiperidin-3-ol (CID 1415583) is (3R,4R)-1,4-ditert-butylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-1,4-ditert-butylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-1,4-ditert-butylpiperidin-3-ol is CC(C)(C)[C@H]1CCN(C(C)(C)C)C[C@@H]1O.
What is the InChIKey of (3R,4R)-1,4-ditert-butylpiperidin-3-ol?
The InChIKey is PFKQUXPGFSZDBN-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)10-7-8-14(9-11(10)15)13(4,5)6/h10-11,15H,7-9H2,1-6H3/t10-,11-/m0/s1.
What are the key properties of (3R,4R)-1,4-ditert-butylpiperidin-3-ol?
(3R,4R)-1,4-ditert-butylpiperidin-3-ol has a molecular weight of 213.36 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,4-ditert-butylpiperidin-3-ol is sourced from PubChem (CID 1415583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).