1-(3,3-dimethylbut-1-en-2-yl)-3-fluoro-3-methylpiperidine

C12H22FN — CID 177156449

IUPAC1-(3,3-dimethylbut-1-en-2-yl)-3-fluoro-3-methylpiperidine
SMILESC=C(N1CCCC(C)(F)C1)C(C)(C)C
InChIInChI=1S/C12H22FN/c1-10(11(2,3)4)14-8-6-7-12(5,13)9-14/h1,6-9H2,2-5H3
InChIKeyCZDRBHNEZHAYPH-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.37
Rot. Bonds1

About 1-(3,3-dimethylbut-1-en-2-yl)-3-fluoro-3-methylpiperidine

1-(3,3-dimethylbut-1-en-2-yl)-3-fluoro-3-methylpiperidine (PubChem CID 177156449) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 1-(3,3-dimethylbut-1-en-2-yl)-3-fluoro-3-methylpiperidine.

Molecular Properties

Compound Name1-(3,3-dimethylbut-1-en-2-yl)-3-fluoro-3-methylpiperidine
PubChem CID177156449
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name1-(3,3-dimethylbut-1-en-2-yl)-3-fluoro-3-methylpiperidine
SMILESC=C(N1CCCC(C)(F)C1)C(C)(C)C
InChIInChI=1S/C12H22FN/c1-10(11(2,3)4)14-8-6-7-12(5,13)9-14/h1,6-9H2,2-5H3
InChIKeyCZDRBHNEZHAYPH-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)-3-fluoro-3-methylpiperidine?
The IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)-3-fluoro-3-methylpiperidine (CID 177156449) is 1-(3,3-dimethylbut-1-en-2-yl)-3-fluoro-3-methylpiperidine.
What is the SMILES notation for 1-(3,3-dimethylbut-1-en-2-yl)-3-fluoro-3-methylpiperidine?
The canonical SMILES for 1-(3,3-dimethylbut-1-en-2-yl)-3-fluoro-3-methylpiperidine is C=C(N1CCCC(C)(F)C1)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbut-1-en-2-yl)-3-fluoro-3-methylpiperidine?
The InChIKey is CZDRBHNEZHAYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-10(11(2,3)4)14-8-6-7-12(5,13)9-14/h1,6-9H2,2-5H3.
What are the key properties of 1-(3,3-dimethylbut-1-en-2-yl)-3-fluoro-3-methylpiperidine?
1-(3,3-dimethylbut-1-en-2-yl)-3-fluoro-3-methylpiperidine has a molecular weight of 199.31 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbut-1-en-2-yl)-3-fluoro-3-methylpiperidine is sourced from PubChem (CID 177156449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).