1-tert-butyl-4-(3-propoxycyclobutyl)piperazine

C15H30N2O — CID 146548334

IUPAC1-tert-butyl-4-(3-propoxycyclobutyl)piperazine
SMILESCCCOC1CC(N2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C15H30N2O/c1-5-10-18-14-11-13(12-14)16-6-8-17(9-7-16)15(2,3)4/h13-14H,5-12H2,1-4H3
InChIKeyFBVAWEAPZWGCPI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.36
Rot. Bonds4

About 1-tert-butyl-4-(3-propoxycyclobutyl)piperazine

1-tert-butyl-4-(3-propoxycyclobutyl)piperazine (PubChem CID 146548334) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-propoxycyclobutyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(3-propoxycyclobutyl)piperazine
PubChem CID146548334
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-tert-butyl-4-(3-propoxycyclobutyl)piperazine
SMILESCCCOC1CC(N2CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C15H30N2O/c1-5-10-18-14-11-13(12-14)16-6-8-17(9-7-16)15(2,3)4/h13-14H,5-12H2,1-4H3
InChIKeyFBVAWEAPZWGCPI-UHFFFAOYSA-N
XLogP2.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.36
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-(3-propoxycyclobutyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(3-propoxycyclobutyl)piperazine (CID 146548334) is 1-tert-butyl-4-(3-propoxycyclobutyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(3-propoxycyclobutyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(3-propoxycyclobutyl)piperazine is CCCOC1CC(N2CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-(3-propoxycyclobutyl)piperazine?
The InChIKey is FBVAWEAPZWGCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-10-18-14-11-13(12-14)16-6-8-17(9-7-16)15(2,3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(3-propoxycyclobutyl)piperazine?
1-tert-butyl-4-(3-propoxycyclobutyl)piperazine has a molecular weight of 254.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-propoxycyclobutyl)piperazine is sourced from PubChem (CID 146548334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).