1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol

C16H24F2N2O — CID 114682006

IUPAC1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol
SMILESCNC(CCN1CCC(O)C(C)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H24F2N2O/c1-11-10-20(6-4-16(11)21)5-3-15(19-2)12-7-13(17)9-14(18)8-12/h7-9,11,15-16,19,21H,3-6,10H2,1-2H3
InChIKeyHWEVORBZVSFDLG-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.32
Rot. Bonds5

About 1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol

1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol (PubChem CID 114682006) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol
PubChem CID114682006
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol
SMILESCNC(CCN1CCC(O)C(C)C1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H24F2N2O/c1-11-10-20(6-4-16(11)21)5-3-15(19-2)12-7-13(17)9-14(18)8-12/h7-9,11,15-16,19,21H,3-6,10H2,1-2H3
InChIKeyHWEVORBZVSFDLG-UHFFFAOYSA-N
XLogP2.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol (CID 114682006) is 1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol is CNC(CCN1CCC(O)C(C)C1)c1cc(F)cc(F)c1.
What is the InChIKey of 1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol?
The InChIKey is HWEVORBZVSFDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-11-10-20(6-4-16(11)21)5-3-15(19-2)12-7-13(17)9-14(18)8-12/h7-9,11,15-16,19,21H,3-6,10H2,1-2H3.
What are the key properties of 1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol?
1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol has a molecular weight of 298.38 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114682006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).