4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine

C11H20FN — CID 122578819

IUPAC4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCC(F)(C(C)C)CC1
InChIInChI=1S/C11H20FN/c1-9(2)11(12)5-7-13(8-6-11)10(3)4/h9H,3,5-8H2,1-2,4H3
InChIKeyOOMJDQZVZXCNFR-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.98
Rot. Bonds2

About 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine

4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine (PubChem CID 122578819) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
PubChem CID122578819
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCC(F)(C(C)C)CC1
InChIInChI=1S/C11H20FN/c1-9(2)11(12)5-7-13(8-6-11)10(3)4/h9H,3,5-8H2,1-2,4H3
InChIKeyOOMJDQZVZXCNFR-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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Related Compounds

1-But-2-en-2-yl-4-(trifluoromethyl)piperidine
CID 68186471
4-Fluoro-1-(3-methylbut-1-en-2-yl)piperidine
CID 118185526
4-Methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
CID 126663367
4-(Difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine
CID 145027172
(2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine
CID 146361011
2,2-Difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 155037099
4-Ethyl-5-fluoro-3,3-dimethyl-1-prop-1-en-2-ylpiperidine
CID 156329317
3-Fluoro-3-methyl-1-prop-1-en-2-ylpiperidine
CID 162729666
(3S)-4-fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 166104896
4-Fluoro-4-methyl-3-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 166104947
1-(3,3-Difluoroprop-1-en-2-yl)-4-ethylpiperidine
CID 169990046
2-(1-Fluoroethyl)-5-methyl-1-prop-1-en-2-ylpiperidine
CID 170016481

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine?
The IUPAC name of 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine (CID 122578819) is 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine?
The canonical SMILES for 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine is C=C(C)N1CCC(F)(C(C)C)CC1.
What is the InChIKey of 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine?
The InChIKey is OOMJDQZVZXCNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-9(2)11(12)5-7-13(8-6-11)10(3)4/h9H,3,5-8H2,1-2,4H3.
What are the key properties of 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine?
4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine 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 4-fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 122578819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).