(3R,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine

C9H16FNO — CID 177156528

IUPAC(3R,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine
SMILESC[C@H]1CCN(C2COC2)C[C@@H]1F
InChIInChI=1S/C9H16FNO/c1-7-2-3-11(4-9(7)10)8-5-12-6-8/h7-9H,2-6H2,1H3/t7-,9-/m0/s1
InChIKeyPTPYZHPHUNTWCH-CBAPKCEASA-N
MW173.23 g/mol
LogP1.07
Rot. Bonds1

About (3R,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine

(3R,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine (PubChem CID 177156528) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine
PubChem CID177156528
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(3R,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine
SMILESC[C@H]1CCN(C2COC2)C[C@@H]1F
InChIInChI=1S/C9H16FNO/c1-7-2-3-11(4-9(7)10)8-5-12-6-8/h7-9H,2-6H2,1H3/t7-,9-/m0/s1
InChIKeyPTPYZHPHUNTWCH-CBAPKCEASA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 59343303
(3R)-3-fluoro-1-(oxetan-3-yl)piperidine
CID 118289034
1-(2-Fluorooxetan-3-yl)piperidine
CID 123403787
3-Fluoro-1-(oxetan-3-yl)piperidine
CID 123854958
4,4-Difluoro-3-methyl-1-(oxetan-3-yl)piperidine
CID 129270060
4-Methyl-1-[2-(trifluoromethoxy)ethyl]piperidine
CID 130420846
3,3-Difluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 131152778
3-Fluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 131199822
4,4-Difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine
CID 137391663
4-Fluoro-4-methyl-1-(oxetan-3-yl)piperidine
CID 137512520
4-Fluoro-1-(oxetan-3-yl)piperidine
CID 137512522
3-Ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine
CID 138617821

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine?
The IUPAC name of (3R,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine (CID 177156528) is (3R,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine.
What is the SMILES notation for (3R,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine?
The canonical SMILES for (3R,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine is C[C@H]1CCN(C2COC2)C[C@@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine?
The InChIKey is PTPYZHPHUNTWCH-CBAPKCEASA-N. The full InChI is InChI=1S/C9H16FNO/c1-7-2-3-11(4-9(7)10)8-5-12-6-8/h7-9H,2-6H2,1H3/t7-,9-/m0/s1.
What are the key properties of (3R,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine?
(3R,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine has a molecular weight of 173.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine is sourced from PubChem (CID 177156528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).