1,4-ditert-butylpiperidin-3-ol

C13H27NO — CID 5002181

IUPAC1,4-ditert-butylpiperidin-3-ol
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1O
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
InChIKeyPFKQUXPGFSZDBN-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.51
Rot. Bonds

About 1,4-ditert-butylpiperidin-3-ol

1,4-ditert-butylpiperidin-3-ol (PubChem CID 5002181) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1,4-ditert-butylpiperidin-3-ol.

Molecular Properties

Compound Name1,4-ditert-butylpiperidin-3-ol
PubChem CID5002181
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1,4-ditert-butylpiperidin-3-ol
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1O
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
InChIKeyPFKQUXPGFSZDBN-UHFFFAOYSA-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

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Related Compounds

Tetramethyl-1-piperidineethanol
CID 66974018
1,5-Ditert-butyl-3-piperidinol
CID 2850400
1-Tert-butyl-4-methylpiperidin-3-ol
CID 5301330
Cambridge id 5531799
CID 2850399
1,5,6-Trimethyl-3-piperidinol
CID 3939577
1,2,2,5-Tetramethylpiperidin-3-ol
CID 4265959
N-t-butyl-5-methyl-3-piperidol
CID 3557594
5-Methyl-1-(1-methylethyl)-3-piperidinol
CID 3874539
Tetramethyl-4-piperidinol
CID 18386594
1-Methyl-5-t-butyl-3-piperidol
CID 72304009
(3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol
CID 26458259
1-[1-(2-Hydroxyethyl)piperidin-4-yl]propan-1-ol
CID 11970511

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylpiperidin-3-ol?
The IUPAC name of 1,4-ditert-butylpiperidin-3-ol (CID 5002181) is 1,4-ditert-butylpiperidin-3-ol.
What is the SMILES notation for 1,4-ditert-butylpiperidin-3-ol?
The canonical SMILES for 1,4-ditert-butylpiperidin-3-ol is CC(C)(C)C1CCN(C(C)(C)C)CC1O.
What is the InChIKey of 1,4-ditert-butylpiperidin-3-ol?
The InChIKey is PFKQUXPGFSZDBN-UHFFFAOYSA-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.
What are the key properties of 1,4-ditert-butylpiperidin-3-ol?
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 1,4-ditert-butylpiperidin-3-ol is sourced from PubChem (CID 5002181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).