1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride

C16H17ClF3N3O — CID 23133624

IUPAC1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc(-c2ccc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C16H16F3N3O.ClH/c17-16(18,19)23-14-4-1-12(2-5-14)13-3-6-15(21-11-13)22-9-7-20-8-10-22;/h1-6,11,20H,7-10H2;1H
InChIKeyILSUPLSMEKEQEM-UHFFFAOYSA-N
MW359.78 g/mol
LogP3.48
Rot. Bonds3

About 1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride

1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride (PubChem CID 23133624) has the molecular formula C16H17ClF3N3O and a molecular weight of 359.78 g/mol. Its IUPAC name is 1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride
PubChem CID23133624
Molecular FormulaC16H17ClF3N3O
Molecular Weight359.78 g/mol
Exact Mass359.10
IUPAC Name1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc(-c2ccc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C16H16F3N3O.ClH/c17-16(18,19)23-14-4-1-12(2-5-14)13-3-6-15(21-11-13)22-9-7-20-8-10-22;/h1-6,11,20H,7-10H2;1H
InChIKeyILSUPLSMEKEQEM-UHFFFAOYSA-N
XLogP3.48
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride?
The IUPAC name of 1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride (CID 23133624) is 1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride?
The canonical SMILES for 1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride is Cl.FC(F)(F)Oc1ccc(-c2ccc(N3CCNCC3)nc2)cc1.
What is the InChIKey of 1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride?
The InChIKey is ILSUPLSMEKEQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O.ClH/c17-16(18,19)23-14-4-1-12(2-5-14)13-3-6-15(21-11-13)22-9-7-20-8-10-22;/h1-6,11,20H,7-10H2;1H.
What are the key properties of 1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride?
1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride has a molecular weight of 359.78 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride is sourced from PubChem (CID 23133624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).