1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride

C16H21ClF4N2 — CID 171170761

IUPAC1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
SMILESCl.Fc1cc([C@@H](CC2CC2)N2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H20F4N2.ClH/c17-14-9-12(8-13(10-14)16(18,19)20)15(7-11-1-2-11)22-5-3-21-4-6-22;/h8-11,15,21H,1-7H2;1H/t15-;/m1./s1
InChIKeyCXBRDWYNSJOBCJ-XFULWGLBSA-N
MW352.80 g/mol
LogP4.01
Rot. Bonds4

About 1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride

1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride (PubChem CID 171170761) has the molecular formula C16H21ClF4N2 and a molecular weight of 352.80 g/mol. Its IUPAC name is 1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
PubChem CID171170761
Molecular FormulaC16H21ClF4N2
Molecular Weight352.80 g/mol
Exact Mass352.13
IUPAC Name1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
SMILESCl.Fc1cc([C@@H](CC2CC2)N2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H20F4N2.ClH/c17-14-9-12(8-13(10-14)16(18,19)20)15(7-11-1-2-11)22-5-3-21-4-6-22;/h8-11,15,21H,1-7H2;1H/t15-;/m1./s1
InChIKeyCXBRDWYNSJOBCJ-XFULWGLBSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-3,3-difluoro-1-[3-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171176567
1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine
CID 171170628
1-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171165350
1-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]piperazine;dihydrochloride
CID 171279095
(3S)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306147
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
1-[(1S)-2-cyclopropyl-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171167831
(4R)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-piperazin-1-ylbutan-1-ol
CID 171173728
1-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine;hydrochloride
CID 171181646
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine;hydrochloride
CID 171169982
5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride
CID 171273867
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine
CID 171169981

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride (CID 171170761) is 1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride is Cl.Fc1cc([C@@H](CC2CC2)N2CCNCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride?
The InChIKey is CXBRDWYNSJOBCJ-XFULWGLBSA-N. The full InChI is InChI=1S/C16H20F4N2.ClH/c17-14-9-12(8-13(10-14)16(18,19)20)15(7-11-1-2-11)22-5-3-21-4-6-22;/h8-11,15,21H,1-7H2;1H/t15-;/m1./s1.
What are the key properties of 1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride?
1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride has a molecular weight of 352.80 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-cyclopropyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride is sourced from PubChem (CID 171170761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).