1-but-3-enyl-4-tert-butylpiperidine

C13H25N — CID 58974869

IUPAC1-but-3-enyl-4-tert-butylpiperidine
SMILESC=CCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H25N/c1-5-6-9-14-10-7-12(8-11-14)13(2,3)4/h5,12H,1,6-11H2,2-4H3
InChIKeyNGKRGIODTCRHSZ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.32
Rot. Bonds3

About 1-but-3-enyl-4-tert-butylpiperidine

1-but-3-enyl-4-tert-butylpiperidine (PubChem CID 58974869) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-but-3-enyl-4-tert-butylpiperidine.

Molecular Properties

Compound Name1-but-3-enyl-4-tert-butylpiperidine
PubChem CID58974869
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-but-3-enyl-4-tert-butylpiperidine
SMILESC=CCCN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H25N/c1-5-6-9-14-10-7-12(8-11-14)13(2,3)4/h5,12H,1,6-11H2,2-4H3
InChIKeyNGKRGIODTCRHSZ-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-but-3-enyl-4-tert-butylpiperidine?
The IUPAC name of 1-but-3-enyl-4-tert-butylpiperidine (CID 58974869) is 1-but-3-enyl-4-tert-butylpiperidine.
What is the SMILES notation for 1-but-3-enyl-4-tert-butylpiperidine?
The canonical SMILES for 1-but-3-enyl-4-tert-butylpiperidine is C=CCCN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-but-3-enyl-4-tert-butylpiperidine?
The InChIKey is NGKRGIODTCRHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-6-9-14-10-7-12(8-11-14)13(2,3)4/h5,12H,1,6-11H2,2-4H3.
What are the key properties of 1-but-3-enyl-4-tert-butylpiperidine?
1-but-3-enyl-4-tert-butylpiperidine has a molecular weight of 195.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-tert-butylpiperidine is sourced from PubChem (CID 58974869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).