4-fluoro-4-(4-methylfuran-3-yl)piperidine

C10H14FNO — CID 131080949

IUPAC4-fluoro-4-(4-methylfuran-3-yl)piperidine
SMILESCc1cocc1C1(F)CCNCC1
InChIInChI=1S/C10H14FNO/c1-8-6-13-7-9(8)10(11)2-4-12-5-3-10/h6-7,12H,2-5H2,1H3
InChIKeyICQXKZNCUISPQO-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.14
Rot. Bonds1

About 4-fluoro-4-(4-methylfuran-3-yl)piperidine

4-fluoro-4-(4-methylfuran-3-yl)piperidine (PubChem CID 131080949) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-fluoro-4-(4-methylfuran-3-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-4-(4-methylfuran-3-yl)piperidine
PubChem CID131080949
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name4-fluoro-4-(4-methylfuran-3-yl)piperidine
SMILESCc1cocc1C1(F)CCNCC1
InChIInChI=1S/C10H14FNO/c1-8-6-13-7-9(8)10(11)2-4-12-5-3-10/h6-7,12H,2-5H2,1H3
InChIKeyICQXKZNCUISPQO-UHFFFAOYSA-N
XLogP2.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-4-(4-methylfuran-3-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(4-methylfuran-3-yl)piperidine?
The IUPAC name of 4-fluoro-4-(4-methylfuran-3-yl)piperidine (CID 131080949) is 4-fluoro-4-(4-methylfuran-3-yl)piperidine.
What is the SMILES notation for 4-fluoro-4-(4-methylfuran-3-yl)piperidine?
The canonical SMILES for 4-fluoro-4-(4-methylfuran-3-yl)piperidine is Cc1cocc1C1(F)CCNCC1.
What is the InChIKey of 4-fluoro-4-(4-methylfuran-3-yl)piperidine?
The InChIKey is ICQXKZNCUISPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-8-6-13-7-9(8)10(11)2-4-12-5-3-10/h6-7,12H,2-5H2,1H3.
What are the key properties of 4-fluoro-4-(4-methylfuran-3-yl)piperidine?
4-fluoro-4-(4-methylfuran-3-yl)piperidine has a molecular weight of 183.23 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(4-methylfuran-3-yl)piperidine is sourced from PubChem (CID 131080949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).