1-but-1-en-2-yl-3-fluoro-4-methylpiperidine

C10H18FN — CID 177156790

IUPAC1-but-1-en-2-yl-3-fluoro-4-methylpiperidine
SMILESC=C(CC)N1CCC(C)C(F)C1
InChIInChI=1S/C10H18FN/c1-4-9(3)12-6-5-8(2)10(11)7-12/h8,10H,3-7H2,1-2H3
InChIKeyCTUIRUPYXHLFKE-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.59
Rot. Bonds2

About 1-but-1-en-2-yl-3-fluoro-4-methylpiperidine

1-but-1-en-2-yl-3-fluoro-4-methylpiperidine (PubChem CID 177156790) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-but-1-en-2-yl-3-fluoro-4-methylpiperidine.

Molecular Properties

Compound Name1-but-1-en-2-yl-3-fluoro-4-methylpiperidine
PubChem CID177156790
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-but-1-en-2-yl-3-fluoro-4-methylpiperidine
SMILESC=C(CC)N1CCC(C)C(F)C1
InChIInChI=1S/C10H18FN/c1-4-9(3)12-6-5-8(2)10(11)7-12/h8,10H,3-7H2,1-2H3
InChIKeyCTUIRUPYXHLFKE-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.59
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-4-methylpiperidine?
The IUPAC name of 1-but-1-en-2-yl-3-fluoro-4-methylpiperidine (CID 177156790) is 1-but-1-en-2-yl-3-fluoro-4-methylpiperidine.
What is the SMILES notation for 1-but-1-en-2-yl-3-fluoro-4-methylpiperidine?
The canonical SMILES for 1-but-1-en-2-yl-3-fluoro-4-methylpiperidine is C=C(CC)N1CCC(C)C(F)C1.
What is the InChIKey of 1-but-1-en-2-yl-3-fluoro-4-methylpiperidine?
The InChIKey is CTUIRUPYXHLFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-4-9(3)12-6-5-8(2)10(11)7-12/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-but-1-en-2-yl-3-fluoro-4-methylpiperidine?
1-but-1-en-2-yl-3-fluoro-4-methylpiperidine has a molecular weight of 171.26 g/mol, XLogP of 2.59, 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-4-methylpiperidine is sourced from PubChem (CID 177156790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).