4-fluoro-1-(3-methylbutyl)piperidine

C10H20FN — CID 58721597

IUPAC4-fluoro-1-(3-methylbutyl)piperidine
SMILESCC(C)CCN1CCC(F)CC1
InChIInChI=1S/C10H20FN/c1-9(2)3-6-12-7-4-10(11)5-8-12/h9-10H,3-8H2,1-2H3
InChIKeyFOTPTFKGLDJWBL-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.47
Rot. Bonds3

About 4-fluoro-1-(3-methylbutyl)piperidine

4-fluoro-1-(3-methylbutyl)piperidine (PubChem CID 58721597) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is 4-fluoro-1-(3-methylbutyl)piperidine.

Molecular Properties

Compound Name4-fluoro-1-(3-methylbutyl)piperidine
PubChem CID58721597
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Name4-fluoro-1-(3-methylbutyl)piperidine
SMILESCC(C)CCN1CCC(F)CC1
InChIInChI=1S/C10H20FN/c1-9(2)3-6-12-7-4-10(11)5-8-12/h9-10H,3-8H2,1-2H3
InChIKeyFOTPTFKGLDJWBL-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-1-(3-methylbutyl)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-1-(3-methylbutyl)piperidine?
The IUPAC name of 4-fluoro-1-(3-methylbutyl)piperidine (CID 58721597) is 4-fluoro-1-(3-methylbutyl)piperidine.
What is the SMILES notation for 4-fluoro-1-(3-methylbutyl)piperidine?
The canonical SMILES for 4-fluoro-1-(3-methylbutyl)piperidine is CC(C)CCN1CCC(F)CC1.
What is the InChIKey of 4-fluoro-1-(3-methylbutyl)piperidine?
The InChIKey is FOTPTFKGLDJWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-9(2)3-6-12-7-4-10(11)5-8-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-fluoro-1-(3-methylbutyl)piperidine?
4-fluoro-1-(3-methylbutyl)piperidine has a molecular weight of 173.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-methylbutyl)piperidine is sourced from PubChem (CID 58721597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).