1-(3-fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine

C11H22FNO — CID 122544465

IUPAC1-(3-fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine
SMILESCOCC1(C)CCN(CCCF)CC1
InChIInChI=1S/C11H22FNO/c1-11(10-14-2)4-8-13(9-5-11)7-3-6-12/h3-10H2,1-2H3
InChIKeyRARVYBQSTCIXAG-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.09
Rot. Bonds5

About 1-(3-fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine

1-(3-fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine (PubChem CID 122544465) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine
PubChem CID122544465
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name1-(3-fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine
SMILESCOCC1(C)CCN(CCCF)CC1
InChIInChI=1S/C11H22FNO/c1-11(10-14-2)4-8-13(9-5-11)7-3-6-12/h3-10H2,1-2H3
InChIKeyRARVYBQSTCIXAG-UHFFFAOYSA-N
XLogP2.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine?
The IUPAC name of 1-(3-fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine (CID 122544465) is 1-(3-fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine.
What is the SMILES notation for 1-(3-fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine?
The canonical SMILES for 1-(3-fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine is COCC1(C)CCN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine?
The InChIKey is RARVYBQSTCIXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-11(10-14-2)4-8-13(9-5-11)7-3-6-12/h3-10H2,1-2H3.
What are the key properties of 1-(3-fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine?
1-(3-fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine has a molecular weight of 203.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-(methoxymethyl)-4-methylpiperidine is sourced from PubChem (CID 122544465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).