3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride

C13H21Cl2F3N2O2 — CID 154893802

IUPAC3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride
SMILESCc1cc(CNCC2(O)CCCNC2)c(C(F)(F)F)o1.Cl.Cl
InChIInChI=1S/C13H19F3N2O2.2ClH/c1-9-5-10(11(20-9)13(14,15)16)6-18-8-12(19)3-2-4-17-7-12;;/h5,17-19H,2-4,6-8H2,1H3;2*1H
InChIKeyAVUDLELCRMERJV-UHFFFAOYSA-N
MW365.22 g/mol
LogP2.65
Rot. Bonds4

About 3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride

3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride (PubChem CID 154893802) has the molecular formula C13H21Cl2F3N2O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is 3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride
PubChem CID154893802
Molecular FormulaC13H21Cl2F3N2O2
Molecular Weight365.22 g/mol
Exact Mass364.09
IUPAC Name3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride
SMILESCc1cc(CNCC2(O)CCCNC2)c(C(F)(F)F)o1.Cl.Cl
InChIInChI=1S/C13H19F3N2O2.2ClH/c1-9-5-10(11(20-9)13(14,15)16)6-18-8-12(19)3-2-4-17-7-12;;/h5,17-19H,2-4,6-8H2,1H3;2*1H
InChIKeyAVUDLELCRMERJV-UHFFFAOYSA-N
XLogP2.65
TPSA57.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride?
The IUPAC name of 3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride (CID 154893802) is 3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride.
What is the SMILES notation for 3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride?
The canonical SMILES for 3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride is Cc1cc(CNCC2(O)CCCNC2)c(C(F)(F)F)o1.Cl.Cl.
What is the InChIKey of 3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride?
The InChIKey is AVUDLELCRMERJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2.2ClH/c1-9-5-10(11(20-9)13(14,15)16)6-18-8-12(19)3-2-4-17-7-12;;/h5,17-19H,2-4,6-8H2,1H3;2*1H.
What are the key properties of 3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride?
3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride has a molecular weight of 365.22 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylamino]methyl]piperidin-3-ol;dihydrochloride is sourced from PubChem (CID 154893802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).