1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride

C15H21Cl2F3N2 — CID 171172924

IUPAC1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
SMILESCCC[C@H](c1cc(Cl)cc(C(F)(F)F)c1)N1CCNCC1.Cl
InChIInChI=1S/C15H20ClF3N2.ClH/c1-2-3-14(21-6-4-20-5-7-21)11-8-12(15(17,18)19)10-13(16)9-11;/h8-10,14,20H,2-7H2,1H3;1H/t14-;/m1./s1
InChIKeyVHGQXMHRPOPRMD-PFEQFJNWSA-N
MW357.25 g/mol
LogP4.53
Rot. Bonds4

About 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride

1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride (PubChem CID 171172924) has the molecular formula C15H21Cl2F3N2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
PubChem CID171172924
Molecular FormulaC15H21Cl2F3N2
Molecular Weight357.25 g/mol
Exact Mass356.10
IUPAC Name1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
SMILESCCC[C@H](c1cc(Cl)cc(C(F)(F)F)c1)N1CCNCC1.Cl
InChIInChI=1S/C15H20ClF3N2.ClH/c1-2-3-14(21-6-4-20-5-7-21)11-8-12(15(17,18)19)10-13(16)9-11;/h8-10,14,20H,2-7H2,1H3;1H/t14-;/m1./s1
InChIKeyVHGQXMHRPOPRMD-PFEQFJNWSA-N
XLogP4.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309701
1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171172900
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
1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine
CID 171182810
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine;hydrochloride
CID 171167566
1-[(1S)-1-(3-chloro-5-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171277333
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171167520
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171305667
1-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171309861
1-[(1S)-1-(3,5-dichlorophenyl)pentyl]piperazine
CID 171308919
1-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine;hydrochloride
CID 171181646

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride (CID 171172924) is 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride is CCC[C@H](c1cc(Cl)cc(C(F)(F)F)c1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride?
The InChIKey is VHGQXMHRPOPRMD-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H20ClF3N2.ClH/c1-2-3-14(21-6-4-20-5-7-21)11-8-12(15(17,18)19)10-13(16)9-11;/h8-10,14,20H,2-7H2,1H3;1H/t14-;/m1./s1.
What are the key properties of 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride?
1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride has a molecular weight of 357.25 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride is sourced from PubChem (CID 171172924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).