(3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine

C11H21F2N — CID 178101296

IUPAC(3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine
SMILESCC[C@]1(C)CN(CCF)CC[C@@H]1CF
InChIInChI=1S/C11H21F2N/c1-3-11(2)9-14(7-5-12)6-4-10(11)8-13/h10H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyOOCYNZZYJVXKPC-GHMZBOCLSA-N
MW205.29 g/mol
LogP2.66
Rot. Bonds4

About (3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine

(3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine (PubChem CID 178101296) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is (3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine.

Molecular Properties

Compound Name(3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine
PubChem CID178101296
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name(3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine
SMILESCC[C@]1(C)CN(CCF)CC[C@@H]1CF
InChIInChI=1S/C11H21F2N/c1-3-11(2)9-14(7-5-12)6-4-10(11)8-13/h10H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyOOCYNZZYJVXKPC-GHMZBOCLSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine?
The IUPAC name of (3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine (CID 178101296) is (3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine.
What is the SMILES notation for (3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine?
The canonical SMILES for (3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine is CC[C@]1(C)CN(CCF)CC[C@@H]1CF.
What is the InChIKey of (3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine?
The InChIKey is OOCYNZZYJVXKPC-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H21F2N/c1-3-11(2)9-14(7-5-12)6-4-10(11)8-13/h10H,3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine?
(3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine has a molecular weight of 205.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-ethyl-1-(2-fluoroethyl)-4-(fluoromethyl)-3-methylpiperidine is sourced from PubChem (CID 178101296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).