1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride

C17H27Cl2FN2O2 — CID 171295391

IUPAC1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1cc(OC)c(OC)cc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H25FN2O2.2ClH/c1-4-5-6-15(20-9-7-19-8-10-20)13-11-16(21-2)17(22-3)12-14(13)18;;/h4,11-12,15,19H,1,5-10H2,2-3H3;2*1H/t15-;;/m1../s1
InChIKeyBBNCXUFTPSAWHD-QCUBGVIVSA-N
MW381.32 g/mol
LogP3.60
Rot. Bonds7

About 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride

1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride (PubChem CID 171295391) has the molecular formula C17H27Cl2FN2O2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
PubChem CID171295391
Molecular FormulaC17H27Cl2FN2O2
Molecular Weight381.32 g/mol
Exact Mass380.14
IUPAC Name1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1cc(OC)c(OC)cc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H25FN2O2.2ClH/c1-4-5-6-15(20-9-7-19-8-10-20)13-11-16(21-2)17(22-3)12-14(13)18;;/h4,11-12,15,19H,1,5-10H2,2-3H3;2*1H/t15-;;/m1../s1
InChIKeyBBNCXUFTPSAWHD-QCUBGVIVSA-N
XLogP3.60
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-(5-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290387
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171277762
1-[(1R)-4,4,4-trifluoro-1-(2-fluoro-4,5-dimethoxyphenyl)butyl]piperazine
CID 171172693
1-[(1S)-1-(4-fluoro-2-methoxyphenyl)pent-4-enyl]piperazine
CID 171281332
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171295369
1-[(1S)-1-(5-chloro-2-methoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171283386
(2R)-2-(2-fluoro-4,5-dimethoxyphenyl)-2-piperazin-1-ylethanol
CID 171174768
1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171277062
3-methoxy-4-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171274519
1-[(1R)-1-(3,4,5-trimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171286281
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)pent-4-enyl]piperazine
CID 171295610
1-[(1R)-1-(2-fluoro-6-methoxyphenyl)pent-4-enyl]piperazine
CID 171293400

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride (CID 171295391) is 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride is C=CCC[C@H](c1cc(OC)c(OC)cc1F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride?
The InChIKey is BBNCXUFTPSAWHD-QCUBGVIVSA-N. The full InChI is InChI=1S/C17H25FN2O2.2ClH/c1-4-5-6-15(20-9-7-19-8-10-20)13-11-16(21-2)17(22-3)12-14(13)18;;/h4,11-12,15,19H,1,5-10H2,2-3H3;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride has a molecular weight of 381.32 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-fluoro-4,5-dimethoxyphenyl)pent-4-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171295391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).