4,4-difluoro-1-(3-methylbut-1-en-2-yl)piperidine

C10H17F2N — CID 170064475

IUPAC4,4-difluoro-1-(3-methylbut-1-en-2-yl)piperidine
SMILESC=C(C(C)C)N1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2N/c1-8(2)9(3)13-6-4-10(11,12)5-7-13/h8H,3-7H2,1-2H3
InChIKeyXUPYRVTWDRKWQO-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.89
Rot. Bonds2

About 4,4-difluoro-1-(3-methylbut-1-en-2-yl)piperidine

4,4-difluoro-1-(3-methylbut-1-en-2-yl)piperidine (PubChem CID 170064475) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 4,4-difluoro-1-(3-methylbut-1-en-2-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(3-methylbut-1-en-2-yl)piperidine
PubChem CID170064475
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name4,4-difluoro-1-(3-methylbut-1-en-2-yl)piperidine
SMILESC=C(C(C)C)N1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2N/c1-8(2)9(3)13-6-4-10(11,12)5-7-13/h8H,3-7H2,1-2H3
InChIKeyXUPYRVTWDRKWQO-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(3-methylbut-1-en-2-yl)piperidine?
The IUPAC name of 4,4-difluoro-1-(3-methylbut-1-en-2-yl)piperidine (CID 170064475) is 4,4-difluoro-1-(3-methylbut-1-en-2-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(3-methylbut-1-en-2-yl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(3-methylbut-1-en-2-yl)piperidine is C=C(C(C)C)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(3-methylbut-1-en-2-yl)piperidine?
The InChIKey is XUPYRVTWDRKWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-8(2)9(3)13-6-4-10(11,12)5-7-13/h8H,3-7H2,1-2H3.
What are the key properties of 4,4-difluoro-1-(3-methylbut-1-en-2-yl)piperidine?
4,4-difluoro-1-(3-methylbut-1-en-2-yl)piperidine has a molecular weight of 189.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(3-methylbut-1-en-2-yl)piperidine is sourced from PubChem (CID 170064475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).