1-tert-butylpiperidine;4-tert-butylpiperidine

C18H38N2 — CID 161268156

IUPAC1-tert-butylpiperidine;4-tert-butylpiperidine
SMILESCC(C)(C)C1CCNCC1.CC(C)(C)N1CCCCC1
InChIInChI=1S/2C9H19N/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)10-7-5-4-6-8-10/h8,10H,4-7H2,1-3H3;4-8H2,1-3H3
InChIKeyVDLONVVEDNTUJC-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.30
Rot. Bonds

About 1-tert-butylpiperidine;4-tert-butylpiperidine

1-tert-butylpiperidine;4-tert-butylpiperidine (PubChem CID 161268156) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-tert-butylpiperidine;4-tert-butylpiperidine.

Molecular Properties

Compound Name1-tert-butylpiperidine;4-tert-butylpiperidine
PubChem CID161268156
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-tert-butylpiperidine;4-tert-butylpiperidine
SMILESCC(C)(C)C1CCNCC1.CC(C)(C)N1CCCCC1
InChIInChI=1S/2C9H19N/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)10-7-5-4-6-8-10/h8,10H,4-7H2,1-3H3;4-8H2,1-3H3
InChIKeyVDLONVVEDNTUJC-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperidine;4-tert-butylpiperidine?
The IUPAC name of 1-tert-butylpiperidine;4-tert-butylpiperidine (CID 161268156) is 1-tert-butylpiperidine;4-tert-butylpiperidine.
What is the SMILES notation for 1-tert-butylpiperidine;4-tert-butylpiperidine?
The canonical SMILES for 1-tert-butylpiperidine;4-tert-butylpiperidine is CC(C)(C)C1CCNCC1.CC(C)(C)N1CCCCC1.
What is the InChIKey of 1-tert-butylpiperidine;4-tert-butylpiperidine?
The InChIKey is VDLONVVEDNTUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19N/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)10-7-5-4-6-8-10/h8,10H,4-7H2,1-3H3;4-8H2,1-3H3.
What are the key properties of 1-tert-butylpiperidine;4-tert-butylpiperidine?
1-tert-butylpiperidine;4-tert-butylpiperidine has a molecular weight of 282.52 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperidine;4-tert-butylpiperidine is sourced from PubChem (CID 161268156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).