3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine

C10H21FN2O — CID 178011656

IUPAC3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine
SMILESCCC(COC)N1CCC(N)C(F)C1
InChIInChI=1S/C10H21FN2O/c1-3-8(7-14-2)13-5-4-10(12)9(11)6-13/h8-10H,3-7,12H2,1-2H3
InChIKeyYSGXSTVWNUXZCZ-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.78
Rot. Bonds4

About 3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine

3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine (PubChem CID 178011656) has the molecular formula C10H21FN2O and a molecular weight of 204.29 g/mol. Its IUPAC name is 3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine
PubChem CID178011656
Molecular FormulaC10H21FN2O
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC Name3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine
SMILESCCC(COC)N1CCC(N)C(F)C1
InChIInChI=1S/C10H21FN2O/c1-3-8(7-14-2)13-5-4-10(12)9(11)6-13/h8-10H,3-7,12H2,1-2H3
InChIKeyYSGXSTVWNUXZCZ-UHFFFAOYSA-N
XLogP0.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine 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 3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine?
The IUPAC name of 3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine (CID 178011656) is 3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine.
What is the SMILES notation for 3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine?
The canonical SMILES for 3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine is CCC(COC)N1CCC(N)C(F)C1.
What is the InChIKey of 3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine?
The InChIKey is YSGXSTVWNUXZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2O/c1-3-8(7-14-2)13-5-4-10(12)9(11)6-13/h8-10H,3-7,12H2,1-2H3.
What are the key properties of 3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine?
3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine has a molecular weight of 204.29 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine is sourced from PubChem (CID 178011656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).