(3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine

C11H22FN — CID 58286757

IUPAC(3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine
SMILESCCN1CCC(CC(C)C)[C@H](F)C1
InChIInChI=1S/C11H22FN/c1-4-13-6-5-10(7-9(2)3)11(12)8-13/h9-11H,4-8H2,1-3H3/t10?,11-/m1/s1
InChIKeyKWAKGINCWRDAPR-RRKGBCIJSA-N
MW187.30 g/mol
LogP2.71
Rot. Bonds3

About (3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine

(3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine (PubChem CID 58286757) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is (3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name(3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine
PubChem CID58286757
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name(3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine
SMILESCCN1CCC(CC(C)C)[C@H](F)C1
InChIInChI=1S/C11H22FN/c1-4-13-6-5-10(7-9(2)3)11(12)8-13/h9-11H,4-8H2,1-3H3/t10?,11-/m1/s1
InChIKeyKWAKGINCWRDAPR-RRKGBCIJSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine?
The IUPAC name of (3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine (CID 58286757) is (3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine.
What is the SMILES notation for (3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine?
The canonical SMILES for (3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine is CCN1CCC(CC(C)C)[C@H](F)C1.
What is the InChIKey of (3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine?
The InChIKey is KWAKGINCWRDAPR-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H22FN/c1-4-13-6-5-10(7-9(2)3)11(12)8-13/h9-11H,4-8H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of (3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine?
(3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine has a molecular weight of 187.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-fluoro-4-(2-methylpropyl)piperidine is sourced from PubChem (CID 58286757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).