2-[3-(4,4-difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine

C17H32F2N2O — CID 130368452

IUPAC2-[3-(4,4-difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine
SMILESCC(C)CN1CCOC(CC(C)CN2CCC(F)(F)CC2)C1
InChIInChI=1S/C17H32F2N2O/c1-14(2)11-21-8-9-22-16(13-21)10-15(3)12-20-6-4-17(18,19)5-7-20/h14-16H,4-13H2,1-3H3
InChIKeyVWQHKMSALKPZCM-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.10
Rot. Bonds6

About 2-[3-(4,4-difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine

2-[3-(4,4-difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine (PubChem CID 130368452) has the molecular formula C17H32F2N2O and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[3-(4,4-difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name2-[3-(4,4-difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine
PubChem CID130368452
Molecular FormulaC17H32F2N2O
Molecular Weight318.45 g/mol
Exact Mass318.25
IUPAC Name2-[3-(4,4-difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine
SMILESCC(C)CN1CCOC(CC(C)CN2CCC(F)(F)CC2)C1
InChIInChI=1S/C17H32F2N2O/c1-14(2)11-21-8-9-22-16(13-21)10-15(3)12-20-6-4-17(18,19)5-7-20/h14-16H,4-13H2,1-3H3
InChIKeyVWQHKMSALKPZCM-UHFFFAOYSA-N
XLogP3.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,4-difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine?
The IUPAC name of 2-[3-(4,4-difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine (CID 130368452) is 2-[3-(4,4-difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine.
What is the SMILES notation for 2-[3-(4,4-difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine?
The canonical SMILES for 2-[3-(4,4-difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine is CC(C)CN1CCOC(CC(C)CN2CCC(F)(F)CC2)C1.
What is the InChIKey of 2-[3-(4,4-difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine?
The InChIKey is VWQHKMSALKPZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2N2O/c1-14(2)11-21-8-9-22-16(13-21)10-15(3)12-20-6-4-17(18,19)5-7-20/h14-16H,4-13H2,1-3H3.
What are the key properties of 2-[3-(4,4-difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine?
2-[3-(4,4-difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine has a molecular weight of 318.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4-difluoropiperidin-1-yl)-2-methylpropyl]-4-(2-methylpropyl)morpholine is sourced from PubChem (CID 130368452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).