1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine

C16H32N2O — CID 64838582

IUPAC1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(CC2CCOCC2)C(C(C)C)CN1
InChIInChI=1S/C16H32N2O/c1-4-5-15-12-18(16(10-17-15)13(2)3)11-14-6-8-19-9-7-14/h13-17H,4-12H2,1-3H3
InChIKeyDFLWJSRDZOGQPM-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds5

About 1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine

1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine (PubChem CID 64838582) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine
PubChem CID64838582
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(CC2CCOCC2)C(C(C)C)CN1
InChIInChI=1S/C16H32N2O/c1-4-5-15-12-18(16(10-17-15)13(2)3)11-14-6-8-19-9-7-14/h13-17H,4-12H2,1-3H3
InChIKeyDFLWJSRDZOGQPM-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine?
The IUPAC name of 1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine (CID 64838582) is 1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine?
The canonical SMILES for 1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine is CCCC1CN(CC2CCOCC2)C(C(C)C)CN1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine?
The InChIKey is DFLWJSRDZOGQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-5-15-12-18(16(10-17-15)13(2)3)11-14-6-8-19-9-7-14/h13-17H,4-12H2,1-3H3.
What are the key properties of 1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine?
1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-2-propan-2-yl-5-propylpiperazine is sourced from PubChem (CID 64838582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).