2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenol

C16H15ClF3N3O — CID 9282173

IUPAC2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C16H15ClF3N3O/c17-12-9-11(16(18,19)20)10-21-15(12)23-7-5-22(6-8-23)13-3-1-2-4-14(13)24/h1-4,9-10,24H,5-8H2
InChIKeyGOYDWCWCSWKVEQ-UHFFFAOYSA-N
MW357.76 g/mol
LogP3.79
Rot. Bonds2

About 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenol

2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenol (PubChem CID 9282173) has the molecular formula C16H15ClF3N3O and a molecular weight of 357.76 g/mol. Its IUPAC name is 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenol
PubChem CID9282173
Molecular FormulaC16H15ClF3N3O
Molecular Weight357.76 g/mol
Exact Mass357.09
IUPAC Name2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C16H15ClF3N3O/c17-12-9-11(16(18,19)20)10-21-15(12)23-7-5-22(6-8-23)13-3-1-2-4-14(13)24/h1-4,9-10,24H,5-8H2
InChIKeyGOYDWCWCSWKVEQ-UHFFFAOYSA-N
XLogP3.79
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenol (CID 9282173) is 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenol is Oc1ccccc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenol?
The InChIKey is GOYDWCWCSWKVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O/c17-12-9-11(16(18,19)20)10-21-15(12)23-7-5-22(6-8-23)13-3-1-2-4-14(13)24/h1-4,9-10,24H,5-8H2.
What are the key properties of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenol?
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenol has a molecular weight of 357.76 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenol is sourced from PubChem (CID 9282173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).