1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine

C16H22ClF3N2 — CID 171171554

IUPAC1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine
SMILESCCCC[C@H](c1cccc(C(F)(F)F)c1Cl)N1CCNCC1
InChIInChI=1S/C16H22ClF3N2/c1-2-3-7-14(22-10-8-21-9-11-22)12-5-4-6-13(15(12)17)16(18,19)20/h4-6,14,21H,2-3,7-11H2,1H3/t14-/m1/s1
InChIKeyQHSXYTNVXMXBFC-CQSZACIVSA-N
MW334.81 g/mol
LogP4.50
Rot. Bonds5

About 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine

1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine (PubChem CID 171171554) has the molecular formula C16H22ClF3N2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine
PubChem CID171171554
Molecular FormulaC16H22ClF3N2
Molecular Weight334.81 g/mol
Exact Mass334.14
IUPAC Name1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine
SMILESCCCC[C@H](c1cccc(C(F)(F)F)c1Cl)N1CCNCC1
InChIInChI=1S/C16H22ClF3N2/c1-2-3-7-14(22-10-8-21-9-11-22)12-5-4-6-13(15(12)17)16(18,19)20/h4-6,14,21H,2-3,7-11H2,1H3/t14-/m1/s1
InChIKeyQHSXYTNVXMXBFC-CQSZACIVSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166305
1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine
CID 171166366
1-[(1S)-1-[2-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309199
1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302895
1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine;dihydrochloride
CID 171292669
1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine;hydrochloride
CID 171171571
1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine
CID 171171550
1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine
CID 171292685
1-[(1S)-1-(2,3-dichlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309076
1-[(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171165361
1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171280041
1-[(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171309256

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine?
The IUPAC name of 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine (CID 171171554) is 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine is CCCC[C@H](c1cccc(C(F)(F)F)c1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine?
The InChIKey is QHSXYTNVXMXBFC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22ClF3N2/c1-2-3-7-14(22-10-8-21-9-11-22)12-5-4-6-13(15(12)17)16(18,19)20/h4-6,14,21H,2-3,7-11H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine?
1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine has a molecular weight of 334.81 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine is sourced from PubChem (CID 171171554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).