(3S)-5-ethyl-3-fluoro-3-methylpiperidine

C8H16FN — CID 155399392

IUPAC(3S)-5-ethyl-3-fluoro-3-methylpiperidine
SMILESCCC1CNC[C@@](C)(F)C1
InChIInChI=1S/C8H16FN/c1-3-7-4-8(2,9)6-10-5-7/h7,10H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyDNFSMQOHAIHYQV-MQWKRIRWSA-N
MW145.22 g/mol
LogP1.73
Rot. Bonds1

About (3S)-5-ethyl-3-fluoro-3-methylpiperidine

(3S)-5-ethyl-3-fluoro-3-methylpiperidine (PubChem CID 155399392) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (3S)-5-ethyl-3-fluoro-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-5-ethyl-3-fluoro-3-methylpiperidine
PubChem CID155399392
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(3S)-5-ethyl-3-fluoro-3-methylpiperidine
SMILESCCC1CNC[C@@](C)(F)C1
InChIInChI=1S/C8H16FN/c1-3-7-4-8(2,9)6-10-5-7/h7,10H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyDNFSMQOHAIHYQV-MQWKRIRWSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-5-ethyl-3-fluoro-3-methylpiperidine 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)-5-ethyl-3-fluoro-3-methylpiperidine?
The IUPAC name of (3S)-5-ethyl-3-fluoro-3-methylpiperidine (CID 155399392) is (3S)-5-ethyl-3-fluoro-3-methylpiperidine.
What is the SMILES notation for (3S)-5-ethyl-3-fluoro-3-methylpiperidine?
The canonical SMILES for (3S)-5-ethyl-3-fluoro-3-methylpiperidine is CCC1CNC[C@@](C)(F)C1.
What is the InChIKey of (3S)-5-ethyl-3-fluoro-3-methylpiperidine?
The InChIKey is DNFSMQOHAIHYQV-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H16FN/c1-3-7-4-8(2,9)6-10-5-7/h7,10H,3-6H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of (3S)-5-ethyl-3-fluoro-3-methylpiperidine?
(3S)-5-ethyl-3-fluoro-3-methylpiperidine has a molecular weight of 145.22 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-ethyl-3-fluoro-3-methylpiperidine is sourced from PubChem (CID 155399392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).