5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine

C18H32N2O — CID 64947778

IUPAC5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C(C)(C)C)CN1C(C)Cc1ccco1
InChIInChI=1S/C18H32N2O/c1-13(2)16-11-19-17(18(4,5)6)12-20(16)14(3)10-15-8-7-9-21-15/h7-9,13-14,16-17,19H,10-12H2,1-6H3
InChIKeyKRKNFPRRVBZOHZ-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.56
Rot. Bonds4

About 5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine

5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine (PubChem CID 64947778) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine
PubChem CID64947778
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C(C)(C)C)CN1C(C)Cc1ccco1
InChIInChI=1S/C18H32N2O/c1-13(2)16-11-19-17(18(4,5)6)12-20(16)14(3)10-15-8-7-9-21-15/h7-9,13-14,16-17,19H,10-12H2,1-6H3
InChIKeyKRKNFPRRVBZOHZ-UHFFFAOYSA-N
XLogP3.56
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-yl-5-propylpiperazine
CID 64947776
5-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-5-methyl-2-propan-2-ylpiperazine
CID 64945850
5-tert-butyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930661
1-(furan-2-ylmethyl)-5-phenyl-2-propan-2-ylpiperazine
CID 64930221
1-[1-(furan-2-yl)propan-2-yl]-2-pyrrolidin-2-ylpyrrolidine
CID 55180167
5-tert-butyl-2-methyl-1-propan-2-ylpiperazine
CID 64841228
1-[1-(furan-2-yl)propan-2-yl]-2-pyrrolidin-2-ylpiperidine
CID 63256708
5-cyclopropyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-propan-2-ylpiperazine
CID 64940311
5-tert-butyl-1-(1-methylpyrazol-3-yl)-2-propan-2-ylpiperazine
CID 79786714
4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione
CID 63789266
5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine
CID 64947660
1-[1-(furan-2-yl)propan-2-yl]azepane-2-carboxylic acid
CID 65069664

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine (CID 64947778) is 5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine is CC(C)C1CNC(C(C)(C)C)CN1C(C)Cc1ccco1.
What is the InChIKey of 5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine?
The InChIKey is KRKNFPRRVBZOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-13(2)16-11-19-17(18(4,5)6)12-20(16)14(3)10-15-8-7-9-21-15/h7-9,13-14,16-17,19H,10-12H2,1-6H3.
What are the key properties of 5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine?
5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine has a molecular weight of 292.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[1-(furan-2-yl)propan-2-yl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64947778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).