1-(3-chlorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol

C18H19ClF3N3O — CID 3294450

IUPAC1-(3-chlorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2ncccc2C(F)(F)F)CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClF3N3O/c19-14-4-1-3-13(11-14)16(26)12-24-7-9-25(10-8-24)17-15(18(20,21)22)5-2-6-23-17/h1-6,11,16,26H,7-10,12H2
InChIKeyRKXRHFMKZBHXDD-UHFFFAOYSA-N
MW385.82 g/mol
LogP3.61
Rot. Bonds4

About 1-(3-chlorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol

1-(3-chlorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol (PubChem CID 3294450) has the molecular formula C18H19ClF3N3O and a molecular weight of 385.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
PubChem CID3294450
Molecular FormulaC18H19ClF3N3O
Molecular Weight385.82 g/mol
Exact Mass385.12
IUPAC Name1-(3-chlorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2ncccc2C(F)(F)F)CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClF3N3O/c19-14-4-1-3-13(11-14)16(26)12-24-7-9-25(10-8-24)17-15(18(20,21)22)5-2-6-23-17/h1-6,11,16,26H,7-10,12H2
InChIKeyRKXRHFMKZBHXDD-UHFFFAOYSA-N
XLogP3.61
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Azaperol
CID 3080589
(S)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350942
(E)-1-(4-chlorophenyl)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanon-1-one O-methyloxime
CID 11211058
(Z)-1-(4-chlorophenyl)-2-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanon-1-one O-methyloxime
CID 11474734
(Z)-1-(4-chlorophenyl)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanon-1-one O-methyloxime
CID 11849821
(E)-1-(4-chlorophenyl)-2-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanon-1-one O-methyloxime
CID 11849822
US12325701, Example 79.
CID 168679026
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]tetrahydro-4(1H)-pyridinone O-(4-chlorobenzyl)oxime
CID 2765006
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]tetrahydro-4(1H)-pyridinone O-[3-(trifluoromethyl)benzyl]oxime
CID 2765011
1-Phenyl-3-(4-(pyridin-2-yl)piperazin-1-yl)propan-1-ol
CID 10827876
1-[(4-Chlorophenyl)methoxy]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;hydrochloride
CID 12006007
(R)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350991

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol (CID 3294450) is 1-(3-chlorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol is OC(CN1CCN(c2ncccc2C(F)(F)F)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol?
The InChIKey is RKXRHFMKZBHXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O/c19-14-4-1-3-13(11-14)16(26)12-24-7-9-25(10-8-24)17-15(18(20,21)22)5-2-6-23-17/h1-6,11,16,26H,7-10,12H2.
What are the key properties of 1-(3-chlorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol?
1-(3-chlorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol has a molecular weight of 385.82 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 3294450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).