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

C16H25N3O — CID 66235294

IUPAC4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine
SMILESCN1CCN(CC2COCC2N)C(c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-18-7-8-19(9-14-11-20-12-15(14)17)16(10-18)13-5-3-2-4-6-13/h2-6,14-16H,7-12,17H2,1H3
InChIKeyWHVFNKBFGWXICC-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.95
Rot. Bonds3

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

4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine (PubChem CID 66235294) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine
PubChem CID66235294
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine
SMILESCN1CCN(CC2COCC2N)C(c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-18-7-8-19(9-14-11-20-12-15(14)17)16(10-18)13-5-3-2-4-6-13/h2-6,14-16H,7-12,17H2,1H3
InChIKeyWHVFNKBFGWXICC-UHFFFAOYSA-N
XLogP0.95
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine
CID 167753879
[5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine
CID 62425279
[3-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 62263578
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060
[2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]phenyl]methanamine
CID 18070759
2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine
CID 62263763
(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
3-(4-methyl-2-phenylpiperazin-1-yl)propanal
CID 63039379
1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine
CID 43650407
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine?
The IUPAC name of 4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine (CID 66235294) is 4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine is CN1CCN(CC2COCC2N)C(c2ccccc2)C1.
What is the InChIKey of 4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine?
The InChIKey is WHVFNKBFGWXICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18-7-8-19(9-14-11-20-12-15(14)17)16(10-18)13-5-3-2-4-6-13/h2-6,14-16H,7-12,17H2,1H3.
What are the key properties of 4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine?
4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine has a molecular weight of 275.40 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 66235294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).