1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine

C14H19ClN2 — CID 171294077

IUPAC1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine
SMILESC=CC[C@H](c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C14H19ClN2/c1-2-5-14(17-10-8-16-9-11-17)12-6-3-4-7-13(12)15/h2-4,6-7,14,16H,1,5,8-11H2/t14-/m1/s1
InChIKeyNNRPNBWCKXLAHH-CQSZACIVSA-N
MW250.77 g/mol
LogP2.86
Rot. Bonds4

About 1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine

1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine (PubChem CID 171294077) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine
PubChem CID171294077
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine
SMILESC=CC[C@H](c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C14H19ClN2/c1-2-5-14(17-10-8-16-9-11-17)12-6-3-4-7-13(12)15/h2-4,6-7,14,16H,1,5,8-11H2/t14-/m1/s1
InChIKeyNNRPNBWCKXLAHH-CQSZACIVSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 52.86
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-(2,3-dichlorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171277288
2-chloro-6-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol;dihydrochloride
CID 171290078
1-[(1R)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine
CID 171169563
1-[(1S)-1-(2-iodophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171280664
1-[(1S)-1-(2-chloro-4-fluorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171277022
1-[(1R)-1-(2-bromophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171285069
1-[(1R)-1-(2-chlorophenyl)propyl]piperazine
CID 92754288
1-[(1S)-1-(2-chloro-3-pyridinyl)but-3-enyl]piperazine;dihydrochloride
CID 171273130
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride
CID 171292774
(2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183556
1-[(1S)-1-(2,3-dimethylphenyl)but-3-enyl]piperazine
CID 171275803
1-[(1S)-1-[2-(trifluoromethylsulfanyl)phenyl]but-3-enyl]piperazine
CID 171167135

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine (CID 171294077) is 1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine is C=CC[C@H](c1ccccc1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine?
The InChIKey is NNRPNBWCKXLAHH-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-2-5-14(17-10-8-16-9-11-17)12-6-3-4-7-13(12)15/h2-4,6-7,14,16H,1,5,8-11H2/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine?
1-[(1R)-1-(2-chlorophenyl)but-3-enyl]piperazine has a molecular weight of 250.77 g/mol, XLogP of 2.86, 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-chlorophenyl)but-3-enyl]piperazine is sourced from PubChem (CID 171294077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).