(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine

C9H18FN — CID 137457619

IUPAC(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CCN(C)C[C@H]1F
InChIInChI=1S/C9H18FN/c1-7(2)8-4-5-11(3)6-9(8)10/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyXGPHMZXSBFVLFC-DTWKUNHWSA-N
MW159.25 g/mol
LogP1.93
Rot. Bonds1

About (3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine

(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine (PubChem CID 137457619) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine
PubChem CID137457619
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CCN(C)C[C@H]1F
InChIInChI=1S/C9H18FN/c1-7(2)8-4-5-11(3)6-9(8)10/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyXGPHMZXSBFVLFC-DTWKUNHWSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine with MolForge

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

Launch Full Analysis

Related Compounds

ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 177155848
(3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol
CID 121424108
(3S,4R)-1-tert-butyl-3-fluoro-4-propan-2-ylpiperidine
CID 177072817
(3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine
CID 176934951
3-fluoro-4-propan-2-ylpiperidine-1-carbonitrile
CID 171505818
1,4-dimethyl-3-propan-2-ylpiperidine
CID 139491712
(3S,4R)-3-fluoro-1-methyl-N-propan-2-ylpiperidin-4-amine
CID 171638746
(3S)-3-fluoro-4-iodo-1-methylpiperidine
CID 167016263
cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane
CID 153486218
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine
CID 55287556

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine?
The IUPAC name of (3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine (CID 137457619) is (3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine.
What is the SMILES notation for (3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine?
The canonical SMILES for (3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine is CC(C)[C@@H]1CCN(C)C[C@H]1F.
What is the InChIKey of (3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine?
The InChIKey is XGPHMZXSBFVLFC-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(2)8-4-5-11(3)6-9(8)10/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine?
(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine has a molecular weight of 159.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 137457619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).