(3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine

C8H16FN — CID 58394807

IUPAC(3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine
SMILESCCN1CC[C@H](C)[C@H](F)C1
InChIInChI=1S/C8H16FN/c1-3-10-5-4-7(2)8(9)6-10/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyDEZBBJVUDSDSIJ-JGVFFNPUSA-N
MW145.22 g/mol
LogP1.69
Rot. Bonds1

About (3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine

(3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine (PubChem CID 58394807) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine.

Molecular Properties

Compound Name(3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine
PubChem CID58394807
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine
SMILESCCN1CC[C@H](C)[C@H](F)C1
InChIInChI=1S/C8H16FN/c1-3-10-5-4-7(2)8(9)6-10/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyDEZBBJVUDSDSIJ-JGVFFNPUSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1,3,5-trimethyl-
CID 100164
1,4-Dimethylpiperidine
CID 136514
1-Ethyl-4-methylpiperidine
CID 4178649
1-Butyl-4-methylpiperidine
CID 4104802
1-Hexyl-4-methylpiperidine
CID 4525600
1-Ethyl-3-methylpiperidine
CID 102760
Piperidine, 1-(2-methylpropyl)-
CID 139128
1-Propyl-4-methylpiperidine
CID 4100429
N-Isopentylpiperidine
CID 523252
cis-1,3,5-Trimethylpiperidine
CID 642618
rel-(3R,5R)-1,3,5-Trimethylpiperidine
CID 21600125
1,4,4-Trimethylpiperidine
CID 136794

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine?
The IUPAC name of (3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine (CID 58394807) is (3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine.
What is the SMILES notation for (3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine?
The canonical SMILES for (3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine is CCN1CC[C@H](C)[C@H](F)C1.
What is the InChIKey of (3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine?
The InChIKey is DEZBBJVUDSDSIJ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16FN/c1-3-10-5-4-7(2)8(9)6-10/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine?
(3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine has a molecular weight of 145.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-ethyl-3-fluoro-4-methylpiperidine is sourced from PubChem (CID 58394807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).