(4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidine

C8H16FNO — CID 121265299

IUPAC(4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidine
SMILESCO[C@@H]1[C@H](F)CNCC1(C)C
InChIInChI=1S/C8H16FNO/c1-8(2)5-10-4-6(9)7(8)11-3/h6-7,10H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyBKQGITWSICGJFR-RNFRBKRXSA-N
MW161.22 g/mol
LogP0.97
Rot. Bonds1

About (4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidine

(4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidine (PubChem CID 121265299) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidine.

Molecular Properties

Compound Name(4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidine
PubChem CID121265299
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidine
SMILESCO[C@@H]1[C@H](F)CNCC1(C)C
InChIInChI=1S/C8H16FNO/c1-8(2)5-10-4-6(9)7(8)11-3/h6-7,10H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyBKQGITWSICGJFR-RNFRBKRXSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidine?
The IUPAC name of (4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidine (CID 121265299) is (4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidine.
What is the SMILES notation for (4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidine?
The canonical SMILES for (4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidine is CO[C@@H]1[C@H](F)CNCC1(C)C.
What is the InChIKey of (4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidine?
The InChIKey is BKQGITWSICGJFR-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(2)5-10-4-6(9)7(8)11-3/h6-7,10H,4-5H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of (4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidine?
(4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidine has a molecular weight of 161.22 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidine is sourced from PubChem (CID 121265299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).