3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine

C15H22F3N3 — CID 103366096

IUPAC3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine
SMILESCN1CCN(CC(CN)C(F)(F)F)C(c2ccccc2)C1
InChIInChI=1S/C15H22F3N3/c1-20-7-8-21(10-13(9-19)15(16,17)18)14(11-20)12-5-3-2-4-6-12/h2-6,13-14H,7-11,19H2,1H3
InChIKeySOSXDVJAUWDNOF-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.11
Rot. Bonds4

About 3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine

3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine (PubChem CID 103366096) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine
PubChem CID103366096
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine
SMILESCN1CCN(CC(CN)C(F)(F)F)C(c2ccccc2)C1
InChIInChI=1S/C15H22F3N3/c1-20-7-8-21(10-13(9-19)15(16,17)18)14(11-20)12-5-3-2-4-6-12/h2-6,13-14H,7-11,19H2,1H3
InChIKeySOSXDVJAUWDNOF-UHFFFAOYSA-N
XLogP2.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-methyl-2-phenylpiperazin-1-yl)propan-2-ol
CID 113354637
1-(4-methyl-2-phenylpiperazin-1-yl)pentan-2-amine
CID 43650407
[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
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
1-[(3,3-dimethyloxiran-2-yl)methyl]-4-methyl-2-phenylpiperazine
CID 167753879
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060
3-(4-methyl-2-phenylpiperazin-1-yl)propanal
CID 63039379
[5-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-2-yl]methanamine
CID 62425279
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
4-[(4-methyl-2-phenylpiperazin-1-yl)methyl]oxolan-3-amine
CID 66235294
1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine (CID 103366096) is 3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine is CN1CCN(CC(CN)C(F)(F)F)C(c2ccccc2)C1.
What is the InChIKey of 3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine?
The InChIKey is SOSXDVJAUWDNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-20-7-8-21(10-13(9-19)15(16,17)18)14(11-20)12-5-3-2-4-6-12/h2-6,13-14H,7-11,19H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine?
3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine has a molecular weight of 301.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 103366096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).