4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine

C15H25N3 — CID 71251070

IUPAC4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine
SMILESCC(C)(C)Nc1ccc(NC2CCNCC2)cc1
InChIInChI=1S/C15H25N3/c1-15(2,3)18-14-6-4-12(5-7-14)17-13-8-10-16-11-9-13/h4-7,13,16-18H,8-11H2,1-3H3
InChIKeyBNGLVDZPUGLBJW-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.06
Rot. Bonds3

About 4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine

4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine (PubChem CID 71251070) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine
PubChem CID71251070
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine
SMILESCC(C)(C)Nc1ccc(NC2CCNCC2)cc1
InChIInChI=1S/C15H25N3/c1-15(2,3)18-14-6-4-12(5-7-14)17-13-8-10-16-11-9-13/h4-7,13,16-18H,8-11H2,1-3H3
InChIKeyBNGLVDZPUGLBJW-UHFFFAOYSA-N
XLogP3.06
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine?
The IUPAC name of 4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine (CID 71251070) is 4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine?
The canonical SMILES for 4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine is CC(C)(C)Nc1ccc(NC2CCNCC2)cc1.
What is the InChIKey of 4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine?
The InChIKey is BNGLVDZPUGLBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,3)18-14-6-4-12(5-7-14)17-13-8-10-16-11-9-13/h4-7,13,16-18H,8-11H2,1-3H3.
What are the key properties of 4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine?
4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine is sourced from PubChem (CID 71251070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).