(3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine

C9H18FNO — CID 171531648

IUPAC(3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine
SMILESCOCCN1CC[C@@H](C)[C@@H](F)C1
InChIInChI=1S/C9H18FNO/c1-8-3-4-11(5-6-12-2)7-9(8)10/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyFRNBQZWICXUDNX-BDAKNGLRSA-N
MW175.25 g/mol
LogP1.31
Rot. Bonds3

About (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine

(3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine (PubChem CID 171531648) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine
PubChem CID171531648
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine
SMILESCOCCN1CC[C@@H](C)[C@@H](F)C1
InChIInChI=1S/C9H18FNO/c1-8-3-4-11(5-6-12-2)7-9(8)10/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyFRNBQZWICXUDNX-BDAKNGLRSA-N
XLogP1.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine?
The IUPAC name of (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine (CID 171531648) is (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine.
What is the SMILES notation for (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine?
The canonical SMILES for (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine is COCCN1CC[C@@H](C)[C@@H](F)C1.
What is the InChIKey of (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine?
The InChIKey is FRNBQZWICXUDNX-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8-3-4-11(5-6-12-2)7-9(8)10/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine?
(3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine has a molecular weight of 175.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine is sourced from PubChem (CID 171531648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).