(3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine

C9H18FNO — CID 59519996

IUPAC(3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCC(C)(C)O[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C9H18FNO/c1-9(2,3)12-8-4-5-11-6-7(8)10/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyZACSTKTYAPRZGZ-YUMQZZPRSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds1

About (3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine

(3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine (PubChem CID 59519996) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine
PubChem CID59519996
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCC(C)(C)O[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C9H18FNO/c1-9(2,3)12-8-4-5-11-6-7(8)10/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyZACSTKTYAPRZGZ-YUMQZZPRSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]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 (3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine?
The IUPAC name of (3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine (CID 59519996) is (3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine.
What is the SMILES notation for (3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine?
The canonical SMILES for (3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine is CC(C)(C)O[C@H]1CCNC[C@@H]1F.
What is the InChIKey of (3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine?
The InChIKey is ZACSTKTYAPRZGZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(2,3)12-8-4-5-11-6-7(8)10/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine?
(3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidine is sourced from PubChem (CID 59519996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).