1-butan-2-yl-4-(oxan-2-ylmethyl)piperazine

C14H28N2O — CID 142404128

IUPAC1-butan-2-yl-4-(oxan-2-ylmethyl)piperazine
SMILESCCC(C)N1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C14H28N2O/c1-3-13(2)16-9-7-15(8-10-16)12-14-6-4-5-11-17-14/h13-14H,3-12H2,1-2H3
InChIKeyYUSONZHRSLSSEA-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.97
Rot. Bonds4

About 1-butan-2-yl-4-(oxan-2-ylmethyl)piperazine

1-butan-2-yl-4-(oxan-2-ylmethyl)piperazine (PubChem CID 142404128) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-butan-2-yl-4-(oxan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-(oxan-2-ylmethyl)piperazine
PubChem CID142404128
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-butan-2-yl-4-(oxan-2-ylmethyl)piperazine
SMILESCCC(C)N1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C14H28N2O/c1-3-13(2)16-9-7-15(8-10-16)12-14-6-4-5-11-17-14/h13-14H,3-12H2,1-2H3
InChIKeyYUSONZHRSLSSEA-UHFFFAOYSA-N
XLogP1.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(oxan-2-ylmethyl)piperazine?
The IUPAC name of 1-butan-2-yl-4-(oxan-2-ylmethyl)piperazine (CID 142404128) is 1-butan-2-yl-4-(oxan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-butan-2-yl-4-(oxan-2-ylmethyl)piperazine?
The canonical SMILES for 1-butan-2-yl-4-(oxan-2-ylmethyl)piperazine is CCC(C)N1CCN(CC2CCCCO2)CC1.
What is the InChIKey of 1-butan-2-yl-4-(oxan-2-ylmethyl)piperazine?
The InChIKey is YUSONZHRSLSSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-13(2)16-9-7-15(8-10-16)12-14-6-4-5-11-17-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-(oxan-2-ylmethyl)piperazine?
1-butan-2-yl-4-(oxan-2-ylmethyl)piperazine has a molecular weight of 240.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(oxan-2-ylmethyl)piperazine is sourced from PubChem (CID 142404128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).