3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine

C12H24FNO — CID 116500623

IUPAC3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine
SMILESCOCCC(C)C(C)(F)C1CCCNC1
InChIInChI=1S/C12H24FNO/c1-10(6-8-15-3)12(2,13)11-5-4-7-14-9-11/h10-11,14H,4-9H2,1-3H3
InChIKeyOKFPEQBCVKVRCT-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.39
Rot. Bonds5

About 3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine

3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine (PubChem CID 116500623) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine.

Molecular Properties

Compound Name3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine
PubChem CID116500623
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine
SMILESCOCCC(C)C(C)(F)C1CCCNC1
InChIInChI=1S/C12H24FNO/c1-10(6-8-15-3)12(2,13)11-5-4-7-14-9-11/h10-11,14H,4-9H2,1-3H3
InChIKeyOKFPEQBCVKVRCT-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-1-methoxypropan-2-yl)piperidine
CID 112564846
3-(1,1-difluoro-2-methylpropyl)piperidine
CID 83855168
N-(2-methoxyethyl)-2-methyl-2-piperidin-3-ylpropan-1-amine
CID 83199662
2-cyclopropyl-2-fluoro-5-methoxy-3-methylpentan-1-amine
CID 116500631
2-cyclohexyl-5-methoxy-3-methylpentan-2-ol
CID 114795055
3-methyl-2-piperidin-3-ylhexan-2-ol
CID 107892565
3-(1-cyclopropyl-1-fluoroethyl)piperidine
CID 112564879
(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462
(3R)-3-tert-butylpiperidine
CID 59772800
3-(4-ethyl-2-fluorohexan-2-yl)piperidine
CID 112564814
(3S)-3-(2-methoxyethyl)azepane
CID 97297954

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine?
The IUPAC name of 3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine (CID 116500623) is 3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine.
What is the SMILES notation for 3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine?
The canonical SMILES for 3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine is COCCC(C)C(C)(F)C1CCCNC1.
What is the InChIKey of 3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine?
The InChIKey is OKFPEQBCVKVRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-10(6-8-15-3)12(2,13)11-5-4-7-14-9-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine?
3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine has a molecular weight of 217.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine is sourced from PubChem (CID 116500623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).