1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine

C15H21ClN2 — CID 171294206

IUPAC1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine
SMILESC=C(C)C[C@H](c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C15H21ClN2/c1-12(2)11-15(18-9-7-17-8-10-18)13-3-5-14(16)6-4-13/h3-6,15,17H,1,7-11H2,2H3/t15-/m1/s1
InChIKeyNQEQYGAYFXOYCH-OAHLLOKOSA-N
MW264.80 g/mol
LogP3.25
Rot. Bonds4

About 1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine

1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine (PubChem CID 171294206) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine
PubChem CID171294206
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine
SMILESC=C(C)C[C@H](c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C15H21ClN2/c1-12(2)11-15(18-9-7-17-8-10-18)13-3-5-14(16)6-4-13/h3-6,15,17H,1,7-11H2,2H3/t15-/m1/s1
InChIKeyNQEQYGAYFXOYCH-OAHLLOKOSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.25
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-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171294207
1-[(1S)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine
CID 171273254
1-[(1R)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171285883
1-[(1S)-1-(3,5-dichlorophenyl)-3-methylbut-3-enyl]piperazine
CID 171275793
1-[(1S)-3-methyl-1-phenylbut-3-enyl]piperazine;dihydrochloride
CID 171282917
N,N-diethyl-4-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]aniline;dihydrochloride
CID 171279375
1-[(1R)-3-methyl-1-(4-phenoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171292352
2-fluoro-5-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]benzonitrile;dihydrochloride
CID 171293650
1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine
CID 131476591
1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbut-3-enyl]piperazine
CID 171280221
2-chloro-3-fluoro-6-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]phenol
CID 171300312
1-[(1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171292480

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine (CID 171294206) is 1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine is C=C(C)C[C@H](c1ccc(Cl)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine?
The InChIKey is NQEQYGAYFXOYCH-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-12(2)11-15(18-9-7-17-8-10-18)13-3-5-14(16)6-4-13/h3-6,15,17H,1,7-11H2,2H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine?
1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine has a molecular weight of 264.80 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine is sourced from PubChem (CID 171294206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).