(2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine

C13H22FN — CID 162729153

IUPAC(2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine
SMILESC=C/C(=C1/C(F)CCCN1C)C(C)(C)C
InChIInChI=1S/C13H22FN/c1-6-10(13(2,3)4)12-11(14)8-7-9-15(12)5/h6,11H,1,7-9H2,2-5H3/b12-10+
InChIKeyLRXZVOIAEMDGPY-ZRDIBKRKSA-N
MW211.32 g/mol
LogP3.54
Rot. Bonds1

About (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine

(2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine (PubChem CID 162729153) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine.

Molecular Properties

Compound Name(2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine
PubChem CID162729153
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name(2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine
SMILESC=C/C(=C1/C(F)CCCN1C)C(C)(C)C
InChIInChI=1S/C13H22FN/c1-6-10(13(2,3)4)12-11(14)8-7-9-15(12)5/h6,11H,1,7-9H2,2-5H3/b12-10+
InChIKeyLRXZVOIAEMDGPY-ZRDIBKRKSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine?
The IUPAC name of (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine (CID 162729153) is (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine.
What is the SMILES notation for (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine?
The canonical SMILES for (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine is C=C/C(=C1/C(F)CCCN1C)C(C)(C)C.
What is the InChIKey of (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine?
The InChIKey is LRXZVOIAEMDGPY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H22FN/c1-6-10(13(2,3)4)12-11(14)8-7-9-15(12)5/h6,11H,1,7-9H2,2-5H3/b12-10+.
What are the key properties of (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine?
(2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine has a molecular weight of 211.32 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine is sourced from PubChem (CID 162729153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).