1-tert-butylpiperidine

C9H19N — CID 13149218

IUPAC1-tert-butylpiperidine
SMILESCC(C)(C)N1CCCCC1
InChIInChI=1S/C9H19N/c1-9(2,3)10-7-5-4-6-8-10/h4-8H2,1-3H3
InChIKeyRSVIUCBJPRWLIZ-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.27
Rot. Bonds

About 1-tert-butylpiperidine

1-tert-butylpiperidine (PubChem CID 13149218) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1-tert-butylpiperidine.

Molecular Properties

Compound Name1-tert-butylpiperidine
PubChem CID13149218
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1-tert-butylpiperidine
SMILESCC(C)(C)N1CCCCC1
InChIInChI=1S/C9H19N/c1-9(2,3)10-7-5-4-6-8-10/h4-8H2,1-3H3
InChIKeyRSVIUCBJPRWLIZ-UHFFFAOYSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperidine?
The IUPAC name of 1-tert-butylpiperidine (CID 13149218) is 1-tert-butylpiperidine.
What is the SMILES notation for 1-tert-butylpiperidine?
The canonical SMILES for 1-tert-butylpiperidine is CC(C)(C)N1CCCCC1.
What is the InChIKey of 1-tert-butylpiperidine?
The InChIKey is RSVIUCBJPRWLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-9(2,3)10-7-5-4-6-8-10/h4-8H2,1-3H3.
What are the key properties of 1-tert-butylpiperidine?
1-tert-butylpiperidine has a molecular weight of 141.26 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperidine is sourced from PubChem (CID 13149218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).