4-[4-fluoro-2-[(2R)-3-methylbutan-2-yl]phenoxy]-1-methylpiperidine

C17H26FNO — CID 146607867

IUPAC4-[4-fluoro-2-[(2R)-3-methylbutan-2-yl]phenoxy]-1-methylpiperidine
SMILESCC(C)[C@@H](C)c1cc(F)ccc1OC1CCN(C)CC1
InChIInChI=1S/C17H26FNO/c1-12(2)13(3)16-11-14(18)5-6-17(16)20-15-7-9-19(4)10-8-15/h5-6,11-13,15H,7-10H2,1-4H3/t13-/m1/s1
InChIKeyLPZDCEHMDOPPIC-CYBMUJFWSA-N
MW279.40 g/mol
LogP4.06
Rot. Bonds4

About 4-[4-fluoro-2-[(2R)-3-methylbutan-2-yl]phenoxy]-1-methylpiperidine

4-[4-fluoro-2-[(2R)-3-methylbutan-2-yl]phenoxy]-1-methylpiperidine (PubChem CID 146607867) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-[4-fluoro-2-[(2R)-3-methylbutan-2-yl]phenoxy]-1-methylpiperidine.

Molecular Properties

Compound Name4-[4-fluoro-2-[(2R)-3-methylbutan-2-yl]phenoxy]-1-methylpiperidine
PubChem CID146607867
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name4-[4-fluoro-2-[(2R)-3-methylbutan-2-yl]phenoxy]-1-methylpiperidine
SMILESCC(C)[C@@H](C)c1cc(F)ccc1OC1CCN(C)CC1
InChIInChI=1S/C17H26FNO/c1-12(2)13(3)16-11-14(18)5-6-17(16)20-15-7-9-19(4)10-8-15/h5-6,11-13,15H,7-10H2,1-4H3/t13-/m1/s1
InChIKeyLPZDCEHMDOPPIC-CYBMUJFWSA-N
XLogP4.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-2-[(2R)-3-methylbutan-2-yl]phenoxy]-1-methylpiperidine?
The IUPAC name of 4-[4-fluoro-2-[(2R)-3-methylbutan-2-yl]phenoxy]-1-methylpiperidine (CID 146607867) is 4-[4-fluoro-2-[(2R)-3-methylbutan-2-yl]phenoxy]-1-methylpiperidine.
What is the SMILES notation for 4-[4-fluoro-2-[(2R)-3-methylbutan-2-yl]phenoxy]-1-methylpiperidine?
The canonical SMILES for 4-[4-fluoro-2-[(2R)-3-methylbutan-2-yl]phenoxy]-1-methylpiperidine is CC(C)[C@@H](C)c1cc(F)ccc1OC1CCN(C)CC1.
What is the InChIKey of 4-[4-fluoro-2-[(2R)-3-methylbutan-2-yl]phenoxy]-1-methylpiperidine?
The InChIKey is LPZDCEHMDOPPIC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26FNO/c1-12(2)13(3)16-11-14(18)5-6-17(16)20-15-7-9-19(4)10-8-15/h5-6,11-13,15H,7-10H2,1-4H3/t13-/m1/s1.
What are the key properties of 4-[4-fluoro-2-[(2R)-3-methylbutan-2-yl]phenoxy]-1-methylpiperidine?
4-[4-fluoro-2-[(2R)-3-methylbutan-2-yl]phenoxy]-1-methylpiperidine has a molecular weight of 279.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-2-[(2R)-3-methylbutan-2-yl]phenoxy]-1-methylpiperidine is sourced from PubChem (CID 146607867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).