(5S)-4-fluoro-1,2,2,5-tetramethylpiperidine

C9H18FN — CID 174064722

IUPAC(5S)-4-fluoro-1,2,2,5-tetramethylpiperidine
SMILESC[C@H]1CN(C)C(C)(C)CC1F
InChIInChI=1S/C9H18FN/c1-7-6-11(4)9(2,3)5-8(7)10/h7-8H,5-6H2,1-4H3/t7-,8?/m0/s1
InChIKeyQZANHDRFJRPGDU-JAMMHHFISA-N
MW159.25 g/mol
LogP2.07
Rot. Bonds

About (5S)-4-fluoro-1,2,2,5-tetramethylpiperidine

(5S)-4-fluoro-1,2,2,5-tetramethylpiperidine (PubChem CID 174064722) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (5S)-4-fluoro-1,2,2,5-tetramethylpiperidine.

Molecular Properties

Compound Name(5S)-4-fluoro-1,2,2,5-tetramethylpiperidine
PubChem CID174064722
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(5S)-4-fluoro-1,2,2,5-tetramethylpiperidine
SMILESC[C@H]1CN(C)C(C)(C)CC1F
InChIInChI=1S/C9H18FN/c1-7-6-11(4)9(2,3)5-8(7)10/h7-8H,5-6H2,1-4H3/t7-,8?/m0/s1
InChIKeyQZANHDRFJRPGDU-JAMMHHFISA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-fluoro-1,2,2,5-tetramethylpiperidine?
The IUPAC name of (5S)-4-fluoro-1,2,2,5-tetramethylpiperidine (CID 174064722) is (5S)-4-fluoro-1,2,2,5-tetramethylpiperidine.
What is the SMILES notation for (5S)-4-fluoro-1,2,2,5-tetramethylpiperidine?
The canonical SMILES for (5S)-4-fluoro-1,2,2,5-tetramethylpiperidine is C[C@H]1CN(C)C(C)(C)CC1F.
What is the InChIKey of (5S)-4-fluoro-1,2,2,5-tetramethylpiperidine?
The InChIKey is QZANHDRFJRPGDU-JAMMHHFISA-N. The full InChI is InChI=1S/C9H18FN/c1-7-6-11(4)9(2,3)5-8(7)10/h7-8H,5-6H2,1-4H3/t7-,8?/m0/s1.
What are the key properties of (5S)-4-fluoro-1,2,2,5-tetramethylpiperidine?
(5S)-4-fluoro-1,2,2,5-tetramethylpiperidine has a molecular weight of 159.25 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-fluoro-1,2,2,5-tetramethylpiperidine is sourced from PubChem (CID 174064722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).