3-(2-fluoro-1-methoxypropan-2-yl)piperidine

C9H18FNO — CID 112564846

IUPAC3-(2-fluoro-1-methoxypropan-2-yl)piperidine
SMILESCOCC(C)(F)C1CCCNC1
InChIInChI=1S/C9H18FNO/c1-9(10,7-12-2)8-4-3-5-11-6-8/h8,11H,3-7H2,1-2H3
InChIKeyILEILTQRVZSQFH-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.36
Rot. Bonds3

About 3-(2-fluoro-1-methoxypropan-2-yl)piperidine

3-(2-fluoro-1-methoxypropan-2-yl)piperidine (PubChem CID 112564846) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(2-fluoro-1-methoxypropan-2-yl)piperidine.

Molecular Properties

Compound Name3-(2-fluoro-1-methoxypropan-2-yl)piperidine
PubChem CID112564846
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-(2-fluoro-1-methoxypropan-2-yl)piperidine
SMILESCOCC(C)(F)C1CCCNC1
InChIInChI=1S/C9H18FNO/c1-9(10,7-12-2)8-4-3-5-11-6-8/h8,11H,3-7H2,1-2H3
InChIKeyILEILTQRVZSQFH-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462
3-(4-ethyl-2-fluorohexan-2-yl)piperidine
CID 112564814
3-(2-fluoro-5-methoxy-3-methylpentan-2-yl)piperidine
CID 116500623
3-(1-cyclopropyl-1-fluoroethyl)piperidine
CID 112564879
(3R)-3-tert-butylpiperidine
CID 59772800
O-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine
CID 115015581
3-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853692
3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine
CID 112564824
3-(1,1-difluoropropyl)piperidine;hydrochloride
CID 115058466
3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564764
3-[1-(3,5-difluorophenyl)-2-fluoropropan-2-yl]piperidine
CID 105411746

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-1-methoxypropan-2-yl)piperidine?
The IUPAC name of 3-(2-fluoro-1-methoxypropan-2-yl)piperidine (CID 112564846) is 3-(2-fluoro-1-methoxypropan-2-yl)piperidine.
What is the SMILES notation for 3-(2-fluoro-1-methoxypropan-2-yl)piperidine?
The canonical SMILES for 3-(2-fluoro-1-methoxypropan-2-yl)piperidine is COCC(C)(F)C1CCCNC1.
What is the InChIKey of 3-(2-fluoro-1-methoxypropan-2-yl)piperidine?
The InChIKey is ILEILTQRVZSQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(10,7-12-2)8-4-3-5-11-6-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-(2-fluoro-1-methoxypropan-2-yl)piperidine?
3-(2-fluoro-1-methoxypropan-2-yl)piperidine has a molecular weight of 175.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-1-methoxypropan-2-yl)piperidine is sourced from PubChem (CID 112564846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).