1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol

C15H24F3N5O2 — CID 146219473

IUPAC1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](N)COCC(O)CN1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H24F3N5O2/c1-11(19)9-25-10-13(24)8-22-2-4-23(5-3-22)14-20-6-12(7-21-14)15(16,17)18/h6-7,11,13,24H,2-5,8-10,19H2,1H3/t11-,13?/m0/s1
InChIKeyZAMLNCFJJZHKPL-AMGKYWFPSA-N
MW363.38 g/mol
LogP0.34
Rot. Bonds7

About 1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol

1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol (PubChem CID 146219473) has the molecular formula C15H24F3N5O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
PubChem CID146219473
Molecular FormulaC15H24F3N5O2
Molecular Weight363.38 g/mol
Exact Mass363.19
IUPAC Name1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](N)COCC(O)CN1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H24F3N5O2/c1-11(19)9-25-10-13(24)8-22-2-4-23(5-3-22)14-20-6-12(7-21-14)15(16,17)18/h6-7,11,13,24H,2-5,8-10,19H2,1H3/t11-,13?/m0/s1
InChIKeyZAMLNCFJJZHKPL-AMGKYWFPSA-N
XLogP0.34
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol (CID 146219473) is 1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol is C[C@H](N)COCC(O)CN1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
The InChIKey is ZAMLNCFJJZHKPL-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H24F3N5O2/c1-11(19)9-25-10-13(24)8-22-2-4-23(5-3-22)14-20-6-12(7-21-14)15(16,17)18/h6-7,11,13,24H,2-5,8-10,19H2,1H3/t11-,13?/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol?
1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol has a molecular weight of 363.38 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropoxy]-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 146219473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).