1-but-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine

C11H20FN — CID 177156229

IUPAC1-but-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine
SMILESC=C(CC)N1CCC(C)C(C)(F)C1
InChIInChI=1S/C11H20FN/c1-5-10(3)13-7-6-9(2)11(4,12)8-13/h9H,3,5-8H2,1-2,4H3
InChIKeyIXMVBBZRWCDBTF-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.98
Rot. Bonds2

About 1-but-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine

1-but-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine (PubChem CID 177156229) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-but-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine.

Molecular Properties

Compound Name1-but-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine
PubChem CID177156229
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name1-but-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine
SMILESC=C(CC)N1CCC(C)C(C)(F)C1
InChIInChI=1S/C11H20FN/c1-5-10(3)13-7-6-9(2)11(4,12)8-13/h9H,3,5-8H2,1-2,4H3
InChIKeyIXMVBBZRWCDBTF-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine?
The IUPAC name of 1-but-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine (CID 177156229) is 1-but-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine.
What is the SMILES notation for 1-but-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine?
The canonical SMILES for 1-but-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine is C=C(CC)N1CCC(C)C(C)(F)C1.
What is the InChIKey of 1-but-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine?
The InChIKey is IXMVBBZRWCDBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-5-10(3)13-7-6-9(2)11(4,12)8-13/h9H,3,5-8H2,1-2,4H3.
What are the key properties of 1-but-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine?
1-but-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine has a molecular weight of 185.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-3-fluoro-3,4-dimethylpiperidine is sourced from PubChem (CID 177156229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).