1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine

C16H20ClF3N2 — CID 171292685

IUPAC1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1cccc(C(F)(F)F)c1Cl)N1CCNCC1
InChIInChI=1S/C16H20ClF3N2/c1-2-3-7-14(22-10-8-21-9-11-22)12-5-4-6-13(15(12)17)16(18,19)20/h2,4-6,14,21H,1,3,7-11H2/t14-/m1/s1
InChIKeyULFUQIKUZIOQBG-CQSZACIVSA-N
MW332.80 g/mol
LogP4.27
Rot. Bonds5

About 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine

1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine (PubChem CID 171292685) has the molecular formula C16H20ClF3N2 and a molecular weight of 332.80 g/mol. Its IUPAC name is 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine
PubChem CID171292685
Molecular FormulaC16H20ClF3N2
Molecular Weight332.80 g/mol
Exact Mass332.13
IUPAC Name1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1cccc(C(F)(F)F)c1Cl)N1CCNCC1
InChIInChI=1S/C16H20ClF3N2/c1-2-3-7-14(22-10-8-21-9-11-22)12-5-4-6-13(15(12)17)16(18,19)20/h2,4-6,14,21H,1,3,7-11H2/t14-/m1/s1
InChIKeyULFUQIKUZIOQBG-CQSZACIVSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine;hydrochloride
CID 171171571
1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine
CID 171166366
1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302895
1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166305
1-[(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine;dihydrochloride
CID 171292669
1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171171554
1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine
CID 171171550
1-[(1R)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171289612
1-[(1S)-1-(2,3-difluorophenyl)pent-4-enyl]piperazine
CID 171276987
1-[(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride
CID 171283528
1-[(1R)-1-(2,6-dichlorophenyl)pent-4-enyl]piperazine
CID 171284992
2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171274672

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine (CID 171292685) is 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine is C=CCC[C@H](c1cccc(C(F)(F)F)c1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine?
The InChIKey is ULFUQIKUZIOQBG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20ClF3N2/c1-2-3-7-14(22-10-8-21-9-11-22)12-5-4-6-13(15(12)17)16(18,19)20/h2,4-6,14,21H,1,3,7-11H2/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine?
1-[(1R)-1-[2-chloro-3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine has a molecular weight of 332.80 g/mol, XLogP of 4.27, 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]pent-4-enyl]piperazine is sourced from PubChem (CID 171292685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).