1,2-ditert-butylpiperidine

C13H27N — CID 18344943

IUPAC1,2-ditert-butylpiperidine
SMILESCC(C)(C)C1CCCCN1C(C)(C)C
InChIInChI=1S/C13H27N/c1-12(2,3)11-9-7-8-10-14(11)13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyHZIPGRNTQUVUAG-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds

About 1,2-ditert-butylpiperidine

1,2-ditert-butylpiperidine (PubChem CID 18344943) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1,2-ditert-butylpiperidine.

Molecular Properties

Compound Name1,2-ditert-butylpiperidine
PubChem CID18344943
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1,2-ditert-butylpiperidine
SMILESCC(C)(C)C1CCCCN1C(C)(C)C
InChIInChI=1S/C13H27N/c1-12(2,3)11-9-7-8-10-14(11)13(4,5)6/h11H,7-10H2,1-6H3
InChIKeyHZIPGRNTQUVUAG-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butylpiperidine?
The IUPAC name of 1,2-ditert-butylpiperidine (CID 18344943) is 1,2-ditert-butylpiperidine.
What is the SMILES notation for 1,2-ditert-butylpiperidine?
The canonical SMILES for 1,2-ditert-butylpiperidine is CC(C)(C)C1CCCCN1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butylpiperidine?
The InChIKey is HZIPGRNTQUVUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2,3)11-9-7-8-10-14(11)13(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of 1,2-ditert-butylpiperidine?
1,2-ditert-butylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butylpiperidine is sourced from PubChem (CID 18344943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).