(3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylpropyl)piperidine

C13H26FN — CID 178101250

IUPAC(3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylpropyl)piperidine
SMILESCCN1CCC(CF)[C@](C)(CC(C)C)C1
InChIInChI=1S/C13H26FN/c1-5-15-7-6-12(9-14)13(4,10-15)8-11(2)3/h11-12H,5-10H2,1-4H3/t12?,13-/m1/s1
InChIKeyPKHOWDQNODLURR-ZGTCLIOFSA-N
MW215.36 g/mol
LogP3.35
Rot. Bonds4

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

(3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylpropyl)piperidine (PubChem CID 178101250) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is (3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name(3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylpropyl)piperidine
PubChem CID178101250
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name(3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylpropyl)piperidine
SMILESCCN1CCC(CF)[C@](C)(CC(C)C)C1
InChIInChI=1S/C13H26FN/c1-5-15-7-6-12(9-14)13(4,10-15)8-11(2)3/h11-12H,5-10H2,1-4H3/t12?,13-/m1/s1
InChIKeyPKHOWDQNODLURR-ZGTCLIOFSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylpropyl)piperidine?
The IUPAC name of (3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylpropyl)piperidine (CID 178101250) is (3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylpropyl)piperidine.
What is the SMILES notation for (3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylpropyl)piperidine?
The canonical SMILES for (3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylpropyl)piperidine is CCN1CCC(CF)[C@](C)(CC(C)C)C1.
What is the InChIKey of (3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylpropyl)piperidine?
The InChIKey is PKHOWDQNODLURR-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H26FN/c1-5-15-7-6-12(9-14)13(4,10-15)8-11(2)3/h11-12H,5-10H2,1-4H3/t12?,13-/m1/s1.
What are the key properties of (3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylpropyl)piperidine?
(3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylpropyl)piperidine has a molecular weight of 215.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 178101250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).