1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine

C14H18ClFN2 — CID 171169563

IUPAC1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine
SMILESC=CC[C@H](c1ccc(F)cc1Cl)N1CCNCC1
InChIInChI=1S/C14H18ClFN2/c1-2-3-14(18-8-6-17-7-9-18)12-5-4-11(16)10-13(12)15/h2,4-5,10,14,17H,1,3,6-9H2/t14-/m1/s1
InChIKeyVJZNOFQRDJOBDJ-CQSZACIVSA-N
MW268.76 g/mol
LogP3.00
Rot. Bonds4

About 1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine

1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine (PubChem CID 171169563) has the molecular formula C14H18ClFN2 and a molecular weight of 268.76 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine
PubChem CID171169563
Molecular FormulaC14H18ClFN2
Molecular Weight268.76 g/mol
Exact Mass268.11
IUPAC Name1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine
SMILESC=CC[C@H](c1ccc(F)cc1Cl)N1CCNCC1
InChIInChI=1S/C14H18ClFN2/c1-2-3-14(18-8-6-17-7-9-18)12-5-4-11(16)10-13(12)15/h2,4-5,10,14,17H,1,3,6-9H2/t14-/m1/s1
InChIKeyVJZNOFQRDJOBDJ-CQSZACIVSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 53.00
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-[(1S)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171277022
1-[(1S)-1-(2,4-difluorophenyl)but-3-enyl]piperazine
CID 171163003
1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine
CID 171294077
2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol
CID 114064745
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]but-3-enyl]piperazine
CID 171166015
1-[(1R)-1-(4-fluoro-2-nitrophenyl)but-3-enyl]piperazine
CID 171290810
1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171289658
(4R)-4-(2-chloro-4-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171173584
1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine
CID 171169591
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride
CID 171292774
1-[(1R)-1-(4-chloro-2-methylphenyl)but-3-enyl]piperazine
CID 171294005
1-[(1R)-1-(3,6-dichloro-2-fluorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171296396

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine (CID 171169563) is 1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine is C=CC[C@H](c1ccc(F)cc1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine?
The InChIKey is VJZNOFQRDJOBDJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18ClFN2/c1-2-3-14(18-8-6-17-7-9-18)12-5-4-11(16)10-13(12)15/h2,4-5,10,14,17H,1,3,6-9H2/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine?
1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine has a molecular weight of 268.76 g/mol, XLogP of 3.00, 4 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-4-fluorophenyl)but-3-enyl]piperazine is sourced from PubChem (CID 171169563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).