1-[2-(3-methylcyclobutyl)oxan-2-yl]piperazine

C14H26N2O — CID 154963291

IUPAC1-[2-(3-methylcyclobutyl)oxan-2-yl]piperazine
SMILESCC1CC(C2(N3CCNCC3)CCCCO2)C1
InChIInChI=1S/C14H26N2O/c1-12-10-13(11-12)14(4-2-3-9-17-14)16-7-5-15-6-8-16/h12-13,15H,2-11H2,1H3
InChIKeyTYDUUQONNNAFFS-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.83
Rot. Bonds2

About 1-[2-(3-methylcyclobutyl)oxan-2-yl]piperazine

1-[2-(3-methylcyclobutyl)oxan-2-yl]piperazine (PubChem CID 154963291) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[2-(3-methylcyclobutyl)oxan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-(3-methylcyclobutyl)oxan-2-yl]piperazine
PubChem CID154963291
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[2-(3-methylcyclobutyl)oxan-2-yl]piperazine
SMILESCC1CC(C2(N3CCNCC3)CCCCO2)C1
InChIInChI=1S/C14H26N2O/c1-12-10-13(11-12)14(4-2-3-9-17-14)16-7-5-15-6-8-16/h12-13,15H,2-11H2,1H3
InChIKeyTYDUUQONNNAFFS-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylcyclobutyl)oxan-2-yl]piperazine?
The IUPAC name of 1-[2-(3-methylcyclobutyl)oxan-2-yl]piperazine (CID 154963291) is 1-[2-(3-methylcyclobutyl)oxan-2-yl]piperazine.
What is the SMILES notation for 1-[2-(3-methylcyclobutyl)oxan-2-yl]piperazine?
The canonical SMILES for 1-[2-(3-methylcyclobutyl)oxan-2-yl]piperazine is CC1CC(C2(N3CCNCC3)CCCCO2)C1.
What is the InChIKey of 1-[2-(3-methylcyclobutyl)oxan-2-yl]piperazine?
The InChIKey is TYDUUQONNNAFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12-10-13(11-12)14(4-2-3-9-17-14)16-7-5-15-6-8-16/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-[2-(3-methylcyclobutyl)oxan-2-yl]piperazine?
1-[2-(3-methylcyclobutyl)oxan-2-yl]piperazine has a molecular weight of 238.37 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylcyclobutyl)oxan-2-yl]piperazine is sourced from PubChem (CID 154963291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).