1-tert-butyl-4-(furan-3-ylmethyl)piperazine

C13H22N2O — CID 159431968

IUPAC1-tert-butyl-4-(furan-3-ylmethyl)piperazine
SMILESCC(C)(C)N1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C13H22N2O/c1-13(2,3)15-7-5-14(6-8-15)10-12-4-9-16-11-12/h4,9,11H,5-8,10H2,1-3H3
InChIKeySAIZCNPXUKMOLH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.20
Rot. Bonds2

About 1-tert-butyl-4-(furan-3-ylmethyl)piperazine

1-tert-butyl-4-(furan-3-ylmethyl)piperazine (PubChem CID 159431968) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-tert-butyl-4-(furan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(furan-3-ylmethyl)piperazine
PubChem CID159431968
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-tert-butyl-4-(furan-3-ylmethyl)piperazine
SMILESCC(C)(C)N1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C13H22N2O/c1-13(2,3)15-7-5-14(6-8-15)10-12-4-9-16-11-12/h4,9,11H,5-8,10H2,1-3H3
InChIKeySAIZCNPXUKMOLH-UHFFFAOYSA-N
XLogP2.20
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(furan-3-ylmethyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(furan-3-ylmethyl)piperazine (CID 159431968) is 1-tert-butyl-4-(furan-3-ylmethyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(furan-3-ylmethyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(furan-3-ylmethyl)piperazine is CC(C)(C)N1CCN(Cc2ccoc2)CC1.
What is the InChIKey of 1-tert-butyl-4-(furan-3-ylmethyl)piperazine?
The InChIKey is SAIZCNPXUKMOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,3)15-7-5-14(6-8-15)10-12-4-9-16-11-12/h4,9,11H,5-8,10H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(furan-3-ylmethyl)piperazine?
1-tert-butyl-4-(furan-3-ylmethyl)piperazine has a molecular weight of 222.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(furan-3-ylmethyl)piperazine is sourced from PubChem (CID 159431968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).