2-butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine

C16H31NO — CID 164875993

IUPAC2-butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine
SMILESC=CC1(C)CCNC(CCCC)(COC(C)C)C1
InChIInChI=1S/C16H31NO/c1-6-8-9-16(13-18-14(3)4)12-15(5,7-2)10-11-17-16/h7,14,17H,2,6,8-13H2,1,3-5H3
InChIKeyBPMBBFWLZQULSU-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.92
Rot. Bonds7

About 2-butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine

2-butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine (PubChem CID 164875993) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name2-butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine
PubChem CID164875993
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine
SMILESC=CC1(C)CCNC(CCCC)(COC(C)C)C1
InChIInChI=1S/C16H31NO/c1-6-8-9-16(13-18-14(3)4)12-15(5,7-2)10-11-17-16/h7,14,17H,2,6,8-13H2,1,3-5H3
InChIKeyBPMBBFWLZQULSU-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine?
The IUPAC name of 2-butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine (CID 164875993) is 2-butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine.
What is the SMILES notation for 2-butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine?
The canonical SMILES for 2-butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine is C=CC1(C)CCNC(CCCC)(COC(C)C)C1.
What is the InChIKey of 2-butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine?
The InChIKey is BPMBBFWLZQULSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-6-8-9-16(13-18-14(3)4)12-15(5,7-2)10-11-17-16/h7,14,17H,2,6,8-13H2,1,3-5H3.
What are the key properties of 2-butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine?
2-butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine has a molecular weight of 253.43 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-ethenyl-4-methyl-2-(propan-2-yloxymethyl)piperidine is sourced from PubChem (CID 164875993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).