5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine

C17H28N2 — CID 64930661

IUPAC5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C(C)(C)C)CN1c1ccccc1
InChIInChI=1S/C17H28N2/c1-13(2)15-11-18-16(17(3,4)5)12-19(15)14-9-7-6-8-10-14/h6-10,13,15-16,18H,11-12H2,1-5H3
InChIKeyVUDNSIPFXJFAFI-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.54
Rot. Bonds2

About 5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine

5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine (PubChem CID 64930661) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine
PubChem CID64930661
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C(C)(C)C)CN1c1ccccc1
InChIInChI=1S/C17H28N2/c1-13(2)15-11-18-16(17(3,4)5)12-19(15)14-9-7-6-8-10-14/h6-10,13,15-16,18H,11-12H2,1-5H3
InChIKeyVUDNSIPFXJFAFI-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930277
5-tert-butyl-2-ethyl-1-phenylpiperazine
CID 64932615
5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine
CID 79786714
5-tert-butyl-1-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64843383
1-(4-tert-butylphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64932942
1-phenyl-5-propan-2-ylpyrrolidin-3-ol
CID 154695322
5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931164
1-(4-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953690
5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine
CID 64947778
2,5-di(propan-2-yl)-1-pyridin-3-ylpiperazine
CID 64952663
5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 106294168
5-tert-butyl-1-(cyclopropylmethyl)-2-propan-2-ylpiperazine
CID 64842219

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine?
The IUPAC name of 5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine (CID 64930661) is 5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine?
The canonical SMILES for 5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C(C)(C)C)CN1c1ccccc1.
What is the InChIKey of 5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine?
The InChIKey is VUDNSIPFXJFAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)15-11-18-16(17(3,4)5)12-19(15)14-9-7-6-8-10-14/h6-10,13,15-16,18H,11-12H2,1-5H3.
What are the key properties of 5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine?
5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64930661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).