1-(oxan-4-ylmethyl)-2-phenylpiperazine

C16H24N2O — CID 64834544

IUPAC1-(oxan-4-ylmethyl)-2-phenylpiperazine
SMILESc1ccc(C2CNCCN2CC2CCOCC2)cc1
InChIInChI=1S/C16H24N2O/c1-2-4-15(5-3-1)16-12-17-8-9-18(16)13-14-6-10-19-11-7-14/h1-5,14,16-17H,6-13H2
InChIKeyRIQUVGITKWYUDX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.06
Rot. Bonds3

About 1-(oxan-4-ylmethyl)-2-phenylpiperazine

1-(oxan-4-ylmethyl)-2-phenylpiperazine (PubChem CID 64834544) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-2-phenylpiperazine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-2-phenylpiperazine
PubChem CID64834544
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(oxan-4-ylmethyl)-2-phenylpiperazine
SMILESc1ccc(C2CNCCN2CC2CCOCC2)cc1
InChIInChI=1S/C16H24N2O/c1-2-4-15(5-3-1)16-12-17-8-9-18(16)13-14-6-10-19-11-7-14/h1-5,14,16-17H,6-13H2
InChIKeyRIQUVGITKWYUDX-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethyl)-2-phenylpiperazine
CID 64936519
1-(cyclopentylmethyl)-2-phenylpiperazine
CID 64832948
2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine
CID 120753297
N-methyl-3-[(2R)-1-(oxan-4-ylmethyl)piperazin-2-yl]benzamide
CID 124968626
2-(4-ethylphenyl)-1-(oxolan-3-ylmethyl)piperazine
CID 120757831
trimethyl-[(2-phenylpiperazin-1-yl)methyl]silane
CID 10444724
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
1-(3-ethoxypropyl)-2-phenylpiperazine
CID 64938444
2-cyclopropyl-1-(oxan-4-ylmethyl)piperazine
CID 64833938
1-(3-fluoropropyl)-2-phenylpiperazine
CID 81114300
2-phenyl-1-(piperidin-4-ylmethyl)piperidine
CID 120847720
7-phenyl-1-(piperidin-4-ylmethyl)-1,4-diazepan-5-one
CID 119930634

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-2-phenylpiperazine?
The IUPAC name of 1-(oxan-4-ylmethyl)-2-phenylpiperazine (CID 64834544) is 1-(oxan-4-ylmethyl)-2-phenylpiperazine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-2-phenylpiperazine?
The canonical SMILES for 1-(oxan-4-ylmethyl)-2-phenylpiperazine is c1ccc(C2CNCCN2CC2CCOCC2)cc1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-2-phenylpiperazine?
The InChIKey is RIQUVGITKWYUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-4-15(5-3-1)16-12-17-8-9-18(16)13-14-6-10-19-11-7-14/h1-5,14,16-17H,6-13H2.
What are the key properties of 1-(oxan-4-ylmethyl)-2-phenylpiperazine?
1-(oxan-4-ylmethyl)-2-phenylpiperazine has a molecular weight of 260.38 g/mol, XLogP of 2.06, 3 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-phenylpiperazine is sourced from PubChem (CID 64834544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).