1-[(1R)-1-(6-methoxy-3-pyridinyl)-3-methylbut-3-enyl]piperazine

C15H23N3O — CID 171289284

IUPAC1-[(1R)-1-(6-methoxy-3-pyridinyl)-3-methylbut-3-enyl]piperazine
SMILESC=C(C)C[C@H](c1ccc(OC)nc1)N1CCNCC1
InChIInChI=1S/C15H23N3O/c1-12(2)10-14(18-8-6-16-7-9-18)13-4-5-15(19-3)17-11-13/h4-5,11,14,16H,1,6-10H2,2-3H3/t14-/m1/s1
InChIKeyXICOIUBIOHFMLZ-CQSZACIVSA-N
MW261.37 g/mol
LogP2.00
Rot. Bonds5

About 1-[(1R)-1-(6-methoxy-3-pyridinyl)-3-methylbut-3-enyl]piperazine

1-[(1R)-1-(6-methoxy-3-pyridinyl)-3-methylbut-3-enyl]piperazine (PubChem CID 171289284) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[(1R)-1-(6-methoxy-3-pyridinyl)-3-methylbut-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(6-methoxy-3-pyridinyl)-3-methylbut-3-enyl]piperazine
PubChem CID171289284
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[(1R)-1-(6-methoxy-3-pyridinyl)-3-methylbut-3-enyl]piperazine
SMILESC=C(C)C[C@H](c1ccc(OC)nc1)N1CCNCC1
InChIInChI=1S/C15H23N3O/c1-12(2)10-14(18-8-6-16-7-9-18)13-4-5-15(19-3)17-11-13/h4-5,11,14,16H,1,6-10H2,2-3H3/t14-/m1/s1
InChIKeyXICOIUBIOHFMLZ-CQSZACIVSA-N
XLogP2.00
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(6-methoxy-3-pyridinyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306740
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-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine
CID 171294206
1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine
CID 171286732
1-[(1R)-1-(4-methoxy-3-methylphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171295223
1-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171280922
1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171294207
1-[(1R)-3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-enyl]piperazine
CID 171286282
1-[(1S)-3-methyl-1-phenylbut-3-enyl]piperazine;dihydrochloride
CID 171282917
1-[(1S)-1-(4-bromo-3,5-dimethoxyphenyl)-3-methylbut-3-enyl]piperazine
CID 171275617
1-[(1R)-3-methyl-1-(4-phenoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171292352

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(6-methoxy-3-pyridinyl)-3-methylbut-3-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(6-methoxy-3-pyridinyl)-3-methylbut-3-enyl]piperazine (CID 171289284) is 1-[(1R)-1-(6-methoxy-3-pyridinyl)-3-methylbut-3-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(6-methoxy-3-pyridinyl)-3-methylbut-3-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(6-methoxy-3-pyridinyl)-3-methylbut-3-enyl]piperazine is C=C(C)C[C@H](c1ccc(OC)nc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(6-methoxy-3-pyridinyl)-3-methylbut-3-enyl]piperazine?
The InChIKey is XICOIUBIOHFMLZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(2)10-14(18-8-6-16-7-9-18)13-4-5-15(19-3)17-11-13/h4-5,11,14,16H,1,6-10H2,2-3H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(6-methoxy-3-pyridinyl)-3-methylbut-3-enyl]piperazine?
1-[(1R)-1-(6-methoxy-3-pyridinyl)-3-methylbut-3-enyl]piperazine has a molecular weight of 261.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(6-methoxy-3-pyridinyl)-3-methylbut-3-enyl]piperazine is sourced from PubChem (CID 171289284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).