1-(3-fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine

C12H24FNO — CID 58364950

IUPAC1-(3-fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCC(C)(C)OC1CCN(CCCF)CC1
InChIInChI=1S/C12H24FNO/c1-12(2,3)15-11-5-9-14(10-6-11)8-4-7-13/h11H,4-10H2,1-3H3
InChIKeyMJPBHEVZMVFZNX-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.63
Rot. Bonds4

About 1-(3-fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine

1-(3-fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine (PubChem CID 58364950) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
PubChem CID58364950
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name1-(3-fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCC(C)(C)OC1CCN(CCCF)CC1
InChIInChI=1S/C12H24FNO/c1-12(2,3)15-11-5-9-14(10-6-11)8-4-7-13/h11H,4-10H2,1-3H3
InChIKeyMJPBHEVZMVFZNX-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.63
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-[(2-methylpropan-2-yl)oxy]piperidine?
The IUPAC name of 1-(3-fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine (CID 58364950) is 1-(3-fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine.
What is the SMILES notation for 1-(3-fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine?
The canonical SMILES for 1-(3-fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine is CC(C)(C)OC1CCN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine?
The InChIKey is MJPBHEVZMVFZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-12(2,3)15-11-5-9-14(10-6-11)8-4-7-13/h11H,4-10H2,1-3H3.
What are the key properties of 1-(3-fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine?
1-(3-fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine has a molecular weight of 217.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine is sourced from PubChem (CID 58364950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).