1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine

C15H22N2O — CID 117269337

IUPAC1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine
SMILESCOc1cccc(C/C=C\CN2CCNCC2)c1
InChIInChI=1S/C15H22N2O/c1-18-15-7-4-6-14(13-15)5-2-3-10-17-11-8-16-9-12-17/h2-4,6-7,13,16H,5,8-12H2,1H3/b3-2-
InChIKeyKHSQMGPHPVRWLV-IHWYPQMZSA-N
MW246.35 g/mol
LogP1.70
Rot. Bonds5

About 1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine

1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine (PubChem CID 117269337) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine
PubChem CID117269337
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine
SMILESCOc1cccc(C/C=C\CN2CCNCC2)c1
InChIInChI=1S/C15H22N2O/c1-18-15-7-4-6-14(13-15)5-2-3-10-17-11-8-16-9-12-17/h2-4,6-7,13,16H,5,8-12H2,1H3/b3-2-
InChIKeyKHSQMGPHPVRWLV-IHWYPQMZSA-N
XLogP1.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 119966269
1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108900946
1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 119994792
1-[(E)-4-(3-methoxyphenoxy)but-2-enyl]piperidine
CID 27241782
(3-methoxyphenyl)methyl piperazine-1-carboxylate
CID 69142530
1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine
CID 67327483
2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetaldehyde
CID 142892985
1-methoxy-3-(3-phosphorosoprop-2-enyl)benzene
CID 139647655
1-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperazine
CID 102792806
1-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63100409
1-(3-methoxyphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954977

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine?
The IUPAC name of 1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine (CID 117269337) is 1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine.
What is the SMILES notation for 1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine?
The canonical SMILES for 1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine is COc1cccc(C/C=C\CN2CCNCC2)c1.
What is the InChIKey of 1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine?
The InChIKey is KHSQMGPHPVRWLV-IHWYPQMZSA-N. The full InChI is InChI=1S/C15H22N2O/c1-18-15-7-4-6-14(13-15)5-2-3-10-17-11-8-16-9-12-17/h2-4,6-7,13,16H,5,8-12H2,1H3/b3-2-.
What are the key properties of 1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine?
1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine has a molecular weight of 246.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine is sourced from PubChem (CID 117269337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).