1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride

C18H26ClF3N2O — CID 171172097

IUPAC1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride
SMILESC=CCCCC[C@H](c1cccc(OC(F)(F)F)c1)N1CCNCC1.Cl
InChIInChI=1S/C18H25F3N2O.ClH/c1-2-3-4-5-9-17(23-12-10-22-11-13-23)15-7-6-8-16(14-15)24-18(19,20)21;/h2,6-8,14,17,22H,1,3-5,9-13H2;1H/t17-;/m1./s1
InChIKeyIDYCUFQJANDEFS-UNTBIKODSA-N
MW378.87 g/mol
LogP4.70
Rot. Bonds8

About 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride

1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride (PubChem CID 171172097) has the molecular formula C18H26ClF3N2O and a molecular weight of 378.87 g/mol. Its IUPAC name is 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride
PubChem CID171172097
Molecular FormulaC18H26ClF3N2O
Molecular Weight378.87 g/mol
Exact Mass378.17
IUPAC Name1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride
SMILESC=CCCCC[C@H](c1cccc(OC(F)(F)F)c1)N1CCNCC1.Cl
InChIInChI=1S/C18H25F3N2O.ClH/c1-2-3-4-5-9-17(23-12-10-22-11-13-23)15-7-6-8-16(14-15)24-18(19,20)21;/h2,6-8,14,17,22H,1,3-5,9-13H2;1H/t17-;/m1./s1
InChIKeyIDYCUFQJANDEFS-UNTBIKODSA-N
XLogP4.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.87
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine
CID 171172096
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171172081
1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171309375
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171308077
1-[(1S)-1-[3-bromo-5-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride
CID 171165756
2-[(1R)-1-piperazin-1-ylhept-6-enyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171172155
1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine
CID 171310343
1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine
CID 171291836
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine
CID 171279214
1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine
CID 171169252
1-[(1S)-1-[4-(difluoromethoxy)phenyl]hept-6-enyl]piperazine
CID 171165023
1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride
CID 171291315

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride (CID 171172097) is 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride is C=CCCCC[C@H](c1cccc(OC(F)(F)F)c1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride?
The InChIKey is IDYCUFQJANDEFS-UNTBIKODSA-N. The full InChI is InChI=1S/C18H25F3N2O.ClH/c1-2-3-4-5-9-17(23-12-10-22-11-13-23)15-7-6-8-16(14-15)24-18(19,20)21;/h2,6-8,14,17,22H,1,3-5,9-13H2;1H/t17-;/m1./s1.
What are the key properties of 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride?
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride has a molecular weight of 378.87 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride is sourced from PubChem (CID 171172097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).