3-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine

C20H39FN2O2 — CID 165372732

IUPAC3-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine
SMILESCC(C)OCCN1CCC(CN2CCC(OC(C)(C)C)C(F)C2)CC1
InChIInChI=1S/C20H39FN2O2/c1-16(2)24-13-12-22-9-6-17(7-10-22)14-23-11-8-19(18(21)15-23)25-20(3,4)5/h16-19H,6-15H2,1-5H3
InChIKeyWCSXUKMQOXGRRG-UHFFFAOYSA-N
MW358.54 g/mol
LogP3.35
Rot. Bonds7

About 3-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine

3-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine (PubChem CID 165372732) has the molecular formula C20H39FN2O2 and a molecular weight of 358.54 g/mol. Its IUPAC name is 3-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine.

Molecular Properties

Compound Name3-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine
PubChem CID165372732
Molecular FormulaC20H39FN2O2
Molecular Weight358.54 g/mol
Exact Mass358.30
IUPAC Name3-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine
SMILESCC(C)OCCN1CCC(CN2CCC(OC(C)(C)C)C(F)C2)CC1
InChIInChI=1S/C20H39FN2O2/c1-16(2)24-13-12-22-9-6-17(7-10-22)14-23-11-8-19(18(21)15-23)25-20(3,4)5/h16-19H,6-15H2,1-5H3
InChIKeyWCSXUKMQOXGRRG-UHFFFAOYSA-N
XLogP3.35
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.54
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine?
The IUPAC name of 3-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine (CID 165372732) is 3-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine.
What is the SMILES notation for 3-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine?
The canonical SMILES for 3-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine is CC(C)OCCN1CCC(CN2CCC(OC(C)(C)C)C(F)C2)CC1.
What is the InChIKey of 3-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine?
The InChIKey is WCSXUKMQOXGRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39FN2O2/c1-16(2)24-13-12-22-9-6-17(7-10-22)14-23-11-8-19(18(21)15-23)25-20(3,4)5/h16-19H,6-15H2,1-5H3.
What are the key properties of 3-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine?
3-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine has a molecular weight of 358.54 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]piperidine is sourced from PubChem (CID 165372732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).