3-fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine

C18H35FN2O — CID 165372739

IUPAC3-fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine
SMILESCC(C)CN1CCC(CN2CCC(OC(C)C)C(F)C2)CC1
InChIInChI=1S/C18H35FN2O/c1-14(2)11-20-8-5-16(6-9-20)12-21-10-7-18(17(19)13-21)22-15(3)4/h14-18H,5-13H2,1-4H3
InChIKeyGDERDDGCWRCRFA-UHFFFAOYSA-N
MW314.49 g/mol
LogP3.19
Rot. Bonds6

About 3-fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine

3-fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine (PubChem CID 165372739) has the molecular formula C18H35FN2O and a molecular weight of 314.49 g/mol. Its IUPAC name is 3-fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name3-fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine
PubChem CID165372739
Molecular FormulaC18H35FN2O
Molecular Weight314.49 g/mol
Exact Mass314.27
IUPAC Name3-fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine
SMILESCC(C)CN1CCC(CN2CCC(OC(C)C)C(F)C2)CC1
InChIInChI=1S/C18H35FN2O/c1-14(2)11-20-8-5-16(6-9-20)12-21-10-7-18(17(19)13-21)22-15(3)4/h14-18H,5-13H2,1-4H3
InChIKeyGDERDDGCWRCRFA-UHFFFAOYSA-N
XLogP3.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine?
The IUPAC name of 3-fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine (CID 165372739) is 3-fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine.
What is the SMILES notation for 3-fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine?
The canonical SMILES for 3-fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine is CC(C)CN1CCC(CN2CCC(OC(C)C)C(F)C2)CC1.
What is the InChIKey of 3-fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine?
The InChIKey is GDERDDGCWRCRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN2O/c1-14(2)11-20-8-5-16(6-9-20)12-21-10-7-18(17(19)13-21)22-15(3)4/h14-18H,5-13H2,1-4H3.
What are the key properties of 3-fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine?
3-fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine has a molecular weight of 314.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine is sourced from PubChem (CID 165372739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).