1-butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine

C17H31NO — CID 123483242

IUPAC1-butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine
SMILESC=C(C)OC(C)(C(=C)C)C1CCCCN1C(C)CC
InChIInChI=1S/C17H31NO/c1-8-15(6)18-12-10-9-11-16(18)17(7,13(2)3)19-14(4)5/h15-16H,2,4,8-12H2,1,3,5-7H3
InChIKeyCUTGLTORAFDOSM-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.52
Rot. Bonds6

About 1-butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine

1-butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine (PubChem CID 123483242) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine.

Molecular Properties

Compound Name1-butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine
PubChem CID123483242
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine
SMILESC=C(C)OC(C)(C(=C)C)C1CCCCN1C(C)CC
InChIInChI=1S/C17H31NO/c1-8-15(6)18-12-10-9-11-16(18)17(7,13(2)3)19-14(4)5/h15-16H,2,4,8-12H2,1,3,5-7H3
InChIKeyCUTGLTORAFDOSM-UHFFFAOYSA-N
XLogP4.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-prop-1-en-2-yl-1-prop-1-en-2-yloxy-3,5,6,7,8,8a-hexahydro-2H-indolizine
CID 123488308
2-(3-Methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine
CID 123663802

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine?
The IUPAC name of 1-butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine (CID 123483242) is 1-butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine.
What is the SMILES notation for 1-butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine?
The canonical SMILES for 1-butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine is C=C(C)OC(C)(C(=C)C)C1CCCCN1C(C)CC.
What is the InChIKey of 1-butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine?
The InChIKey is CUTGLTORAFDOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-8-15(6)18-12-10-9-11-16(18)17(7,13(2)3)19-14(4)5/h15-16H,2,4,8-12H2,1,3,5-7H3.
What are the key properties of 1-butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine?
1-butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine has a molecular weight of 265.44 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)piperidine is sourced from PubChem (CID 123483242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).