1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride

C16H23Cl2F3N2 — CID 171291315

IUPAC1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1cccc(C(F)(F)F)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H21F3N2.2ClH/c1-2-3-7-15(21-10-8-20-9-11-21)13-5-4-6-14(12-13)16(17,18)19;;/h2,4-6,12,15,20H,1,3,7-11H2;2*1H/t15-;;/m1../s1
InChIKeyPAPVDFDIMZYRQK-QCUBGVIVSA-N
MW371.27 g/mol
LogP4.46
Rot. Bonds5

About 1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride

1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride (PubChem CID 171291315) has the molecular formula C16H23Cl2F3N2 and a molecular weight of 371.27 g/mol. Its IUPAC name is 1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride
PubChem CID171291315
Molecular FormulaC16H23Cl2F3N2
Molecular Weight371.27 g/mol
Exact Mass370.12
IUPAC Name1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1cccc(C(F)(F)F)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H21F3N2.2ClH/c1-2-3-7-15(21-10-8-20-9-11-21)13-5-4-6-14(12-13)16(17,18)19;;/h2,4-6,12,15,20H,1,3,7-11H2;2*1H/t15-;;/m1../s1
InChIKeyPAPVDFDIMZYRQK-QCUBGVIVSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 54.46
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

(3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 171173689
1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171295763
1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171176427
1-[(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]piperazine;dihydrochloride
CID 171291312
1-[(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride
CID 171283528
1-[(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]pent-4-enyl]piperazine
CID 171278983
1-[1-[3-(trifluoromethyl)phenyl]pentyl]-1,4-diazepane
CID 4210350
1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine
CID 171286987
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride
CID 171172097
4-[(1S)-1-piperazin-1-ylpent-4-enyl]benzene-1,2-diol;dihydrochloride
CID 171272501
1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171287878
1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride
CID 171285468

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride (CID 171291315) is 1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride is C=CCC[C@H](c1cccc(C(F)(F)F)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride?
The InChIKey is PAPVDFDIMZYRQK-QCUBGVIVSA-N. The full InChI is InChI=1S/C16H21F3N2.2ClH/c1-2-3-7-15(21-10-8-20-9-11-21)13-5-4-6-14(12-13)16(17,18)19;;/h2,4-6,12,15,20H,1,3,7-11H2;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride?
1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride has a molecular weight of 371.27 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171291315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).