(2R,3S)-1-(2-fluoroethyl)-2,3-dimethylpiperidine

C9H18FN — CID 148927016

IUPAC(2R,3S)-1-(2-fluoroethyl)-2,3-dimethylpiperidine
SMILESC[C@@H]1[C@@H](C)CCCN1CCF
InChIInChI=1S/C9H18FN/c1-8-4-3-6-11(7-5-10)9(8)2/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyPLEKHUOTZVPMRZ-DTWKUNHWSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds2

About (2R,3S)-1-(2-fluoroethyl)-2,3-dimethylpiperidine

(2R,3S)-1-(2-fluoroethyl)-2,3-dimethylpiperidine (PubChem CID 148927016) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (2R,3S)-1-(2-fluoroethyl)-2,3-dimethylpiperidine.

Molecular Properties

Compound Name(2R,3S)-1-(2-fluoroethyl)-2,3-dimethylpiperidine
PubChem CID148927016
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(2R,3S)-1-(2-fluoroethyl)-2,3-dimethylpiperidine
SMILESC[C@@H]1[C@@H](C)CCCN1CCF
InChIInChI=1S/C9H18FN/c1-8-4-3-6-11(7-5-10)9(8)2/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyPLEKHUOTZVPMRZ-DTWKUNHWSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-(2-fluoroethyl)-2,3-dimethylpiperidine?
The IUPAC name of (2R,3S)-1-(2-fluoroethyl)-2,3-dimethylpiperidine (CID 148927016) is (2R,3S)-1-(2-fluoroethyl)-2,3-dimethylpiperidine.
What is the SMILES notation for (2R,3S)-1-(2-fluoroethyl)-2,3-dimethylpiperidine?
The canonical SMILES for (2R,3S)-1-(2-fluoroethyl)-2,3-dimethylpiperidine is C[C@@H]1[C@@H](C)CCCN1CCF.
What is the InChIKey of (2R,3S)-1-(2-fluoroethyl)-2,3-dimethylpiperidine?
The InChIKey is PLEKHUOTZVPMRZ-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18FN/c1-8-4-3-6-11(7-5-10)9(8)2/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-1-(2-fluoroethyl)-2,3-dimethylpiperidine?
(2R,3S)-1-(2-fluoroethyl)-2,3-dimethylpiperidine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(2-fluoroethyl)-2,3-dimethylpiperidine is sourced from PubChem (CID 148927016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).