(2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol

C8H15F3N2O — CID 1479944

IUPAC(2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(C[C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O/c1-12-2-4-13(5-3-12)6-7(14)8(9,10)11/h7,14H,2-6H2,1H3/t7-/m0/s1
InChIKeyDFEMGKICMMLUIF-ZETCQYMHSA-N
MW212.21 g/mol
LogP0.16
Rot. Bonds2

About (2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol

(2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 1479944) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID1479944
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name(2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(C[C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O/c1-12-2-4-13(5-3-12)6-7(14)8(9,10)11/h7,14H,2-6H2,1H3/t7-/m0/s1
InChIKeyDFEMGKICMMLUIF-ZETCQYMHSA-N
XLogP0.16
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 1479944) is (2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol is CN1CCN(C[C@H](O)C(F)(F)F)CC1.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is DFEMGKICMMLUIF-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-12-2-4-13(5-3-12)6-7(14)8(9,10)11/h7,14H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol?
(2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 212.21 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 1479944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).