1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol

C19H22F3N3O2 — CID 2809867

IUPAC1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol
SMILESOC(COc1ccccc1)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H22F3N3O2/c20-19(21,22)15-6-7-18(23-12-15)25-10-8-24(9-11-25)13-16(26)14-27-17-4-2-1-3-5-17/h1-7,12,16,26H,8-11,13-14H2
InChIKeyQTKIMFOGOQUMJM-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.66
Rot. Bonds6

About 1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol

1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol (PubChem CID 2809867) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol
PubChem CID2809867
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol
SMILESOC(COc1ccccc1)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H22F3N3O2/c20-19(21,22)15-6-7-18(23-12-15)25-10-8-24(9-11-25)13-16(26)14-27-17-4-2-1-3-5-17/h1-7,12,16,26H,8-11,13-14H2
InChIKeyQTKIMFOGOQUMJM-UHFFFAOYSA-N
XLogP2.66
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol (CID 2809867) is 1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol is OC(COc1ccccc1)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol?
The InChIKey is QTKIMFOGOQUMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c20-19(21,22)15-6-7-18(23-12-15)25-10-8-24(9-11-25)13-16(26)14-27-17-4-2-1-3-5-17/h1-7,12,16,26H,8-11,13-14H2.
What are the key properties of 1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol?
1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol has a molecular weight of 381.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 2809867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).