(2R)-1-benzyl-2-(4-methoxybut-3-enyl)piperidine

C17H25NO — CID 135013943

IUPAC(2R)-1-benzyl-2-(4-methoxybut-3-enyl)piperidine
SMILESCOC=CCC[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C17H25NO/c1-19-14-8-6-12-17-11-5-7-13-18(17)15-16-9-3-2-4-10-16/h2-4,8-10,14,17H,5-7,11-13,15H2,1H3/t17-/m1/s1
InChIKeyQKUKZOMDLQNTJJ-QGZVFWFLSA-N
MW259.39 g/mol
LogP3.98
Rot. Bonds6

About (2R)-1-benzyl-2-(4-methoxybut-3-enyl)piperidine

(2R)-1-benzyl-2-(4-methoxybut-3-enyl)piperidine (PubChem CID 135013943) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (2R)-1-benzyl-2-(4-methoxybut-3-enyl)piperidine.

Molecular Properties

Compound Name(2R)-1-benzyl-2-(4-methoxybut-3-enyl)piperidine
PubChem CID135013943
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(2R)-1-benzyl-2-(4-methoxybut-3-enyl)piperidine
SMILESCOC=CCC[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C17H25NO/c1-19-14-8-6-12-17-11-5-7-13-18(17)15-16-9-3-2-4-10-16/h2-4,8-10,14,17H,5-7,11-13,15H2,1H3/t17-/m1/s1
InChIKeyQKUKZOMDLQNTJJ-QGZVFWFLSA-N
XLogP3.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-(4-methoxybut-3-enyl)piperidine?
The IUPAC name of (2R)-1-benzyl-2-(4-methoxybut-3-enyl)piperidine (CID 135013943) is (2R)-1-benzyl-2-(4-methoxybut-3-enyl)piperidine.
What is the SMILES notation for (2R)-1-benzyl-2-(4-methoxybut-3-enyl)piperidine?
The canonical SMILES for (2R)-1-benzyl-2-(4-methoxybut-3-enyl)piperidine is COC=CCC[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-2-(4-methoxybut-3-enyl)piperidine?
The InChIKey is QKUKZOMDLQNTJJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25NO/c1-19-14-8-6-12-17-11-5-7-13-18(17)15-16-9-3-2-4-10-16/h2-4,8-10,14,17H,5-7,11-13,15H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-1-benzyl-2-(4-methoxybut-3-enyl)piperidine?
(2R)-1-benzyl-2-(4-methoxybut-3-enyl)piperidine has a molecular weight of 259.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-(4-methoxybut-3-enyl)piperidine is sourced from PubChem (CID 135013943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).