5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine

C16H27N3 — CID 64843004

IUPAC5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
SMILESCC(C)(C)C1CN(Cc2ccncc2)C(C)(C)CN1
InChIInChI=1S/C16H27N3/c1-15(2,3)14-11-19(16(4,5)12-18-14)10-13-6-8-17-9-7-13/h6-9,14,18H,10-12H2,1-5H3
InChIKeyIYFSQMXPSRKGAW-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.68
Rot. Bonds2

About 5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine

5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 64843004) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
PubChem CID64843004
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
SMILESCC(C)(C)C1CN(Cc2ccncc2)C(C)(C)CN1
InChIInChI=1S/C16H27N3/c1-15(2,3)14-11-19(16(4,5)12-18-14)10-13-6-8-17-9-7-13/h6-9,14,18H,10-12H2,1-5H3
InChIKeyIYFSQMXPSRKGAW-UHFFFAOYSA-N
XLogP2.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine (CID 64843004) is 5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine is CC(C)(C)C1CN(Cc2ccncc2)C(C)(C)CN1.
What is the InChIKey of 5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is IYFSQMXPSRKGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-15(2,3)14-11-19(16(4,5)12-18-14)10-13-6-8-17-9-7-13/h6-9,14,18H,10-12H2,1-5H3.
What are the key properties of 5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine?
5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 261.41 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 64843004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).