(3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine

C7H14FNO — CID 90183687

IUPAC(3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine
SMILESCO[C@@]1(C)CCNC[C@H]1F
InChIInChI=1S/C7H14FNO/c1-7(10-2)3-4-9-5-6(7)8/h6,9H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyFVRGVIPTFHQWRD-RQJHMYQMSA-N
MW147.19 g/mol
LogP0.72
Rot. Bonds1

About (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine

(3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine (PubChem CID 90183687) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine
PubChem CID90183687
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine
SMILESCO[C@@]1(C)CCNC[C@H]1F
InChIInChI=1S/C7H14FNO/c1-7(10-2)3-4-9-5-6(7)8/h6,9H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyFVRGVIPTFHQWRD-RQJHMYQMSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine?
The IUPAC name of (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine (CID 90183687) is (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine.
What is the SMILES notation for (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine?
The canonical SMILES for (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine is CO[C@@]1(C)CCNC[C@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine?
The InChIKey is FVRGVIPTFHQWRD-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H14FNO/c1-7(10-2)3-4-9-5-6(7)8/h6,9H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine?
(3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine has a molecular weight of 147.19 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine is sourced from PubChem (CID 90183687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).