[3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine

C17H27N3O — CID 62263578

IUPAC[3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
SMILESCN1CCN(CC2(CN)CCOC2)C(c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-19-8-9-20(13-17(12-18)7-10-21-14-17)16(11-19)15-5-3-2-4-6-15/h2-6,16H,7-14,18H2,1H3
InChIKeyQXKIZABWVBNCCZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.34
Rot. Bonds4

About [3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine

[3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine (PubChem CID 62263578) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
PubChem CID62263578
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
SMILESCN1CCN(CC2(CN)CCOC2)C(c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-19-8-9-20(13-17(12-18)7-10-21-14-17)16(11-19)15-5-3-2-4-6-15/h2-6,16H,7-14,18H2,1H3
InChIKeyQXKIZABWVBNCCZ-UHFFFAOYSA-N
XLogP1.34
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of [3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine (CID 62263578) is [3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for [3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine is CN1CCN(CC2(CN)CCOC2)C(c2ccccc2)C1.
What is the InChIKey of [3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The InChIKey is QXKIZABWVBNCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19-8-9-20(13-17(12-18)7-10-21-14-17)16(11-19)15-5-3-2-4-6-15/h2-6,16H,7-14,18H2,1H3.
What are the key properties of [3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
[3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine has a molecular weight of 289.42 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 62263578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).