[5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine

C17H27N3O — CID 62425279

IUPAC[5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCN1CCN(CC2CCC(CN)O2)C(c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-19-9-10-20(12-16-8-7-15(11-18)21-16)17(13-19)14-5-3-2-4-6-14/h2-6,15-17H,7-13,18H2,1H3
InChIKeyKPAQJSNOJOGBHB-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.48
Rot. Bonds4

About [5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine

[5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine (PubChem CID 62425279) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is [5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine
PubChem CID62425279
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name[5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCN1CCN(CC2CCC(CN)O2)C(c2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-19-9-10-20(12-16-8-7-15(11-18)21-16)17(13-19)14-5-3-2-4-6-14/h2-6,15-17H,7-13,18H2,1H3
InChIKeyKPAQJSNOJOGBHB-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine with MolForge

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Related Compounds

1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine
CID 167753879
4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine
CID 66235294
[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine
CID 18070759
1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine
CID 43650407
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine
CID 62263763
3-(4-methyl-2-phenylpiperazin-1-yl)propanal
CID 63039379
(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine
CID 103366096
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
[3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 62263578
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine (CID 62425279) is [5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine is CN1CCN(CC2CCC(CN)O2)C(c2ccccc2)C1.
What is the InChIKey of [5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine?
The InChIKey is KPAQJSNOJOGBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19-9-10-20(12-16-8-7-15(11-18)21-16)17(13-19)14-5-3-2-4-6-14/h2-6,15-17H,7-13,18H2,1H3.
What are the key properties of [5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine?
[5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine has a molecular weight of 289.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 62425279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).