2-(4-methylpiperidin-1-yl)ethanamine;bis(2,2,2-trifluoroacetic acid)

C12H20F6N2O4 — CID 87609471

IUPAC2-(4-methylpiperidin-1-yl)ethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCC1CCN(CCN)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2.2C2HF3O2/c1-8-2-5-10(6-3-8)7-4-9;2*3-2(4,5)1(6)7/h8H,2-7,9H2,1H3;2*(H,6,7)
InChIKeySNCNOHULVASMIP-UHFFFAOYSA-N
MW370.29 g/mol
LogP1.94
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)ethanamine;bis(2,2,2-trifluoroacetic acid)

2-(4-methylpiperidin-1-yl)ethanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87609471) has the molecular formula C12H20F6N2O4 and a molecular weight of 370.29 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)ethanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)ethanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87609471
Molecular FormulaC12H20F6N2O4
Molecular Weight370.29 g/mol
Exact Mass370.13
IUPAC Name2-(4-methylpiperidin-1-yl)ethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCC1CCN(CCN)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2.2C2HF3O2/c1-8-2-5-10(6-3-8)7-4-9;2*3-2(4,5)1(6)7/h8H,2-7,9H2,1H3;2*(H,6,7)
InChIKeySNCNOHULVASMIP-UHFFFAOYSA-N
XLogP1.94
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)ethanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(4-methylpiperidin-1-yl)ethanamine;bis(2,2,2-trifluoroacetic acid) (CID 87609471) is 2-(4-methylpiperidin-1-yl)ethanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)ethanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)ethanamine;bis(2,2,2-trifluoroacetic acid) is CC1CCN(CCN)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)ethanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is SNCNOHULVASMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.2C2HF3O2/c1-8-2-5-10(6-3-8)7-4-9;2*3-2(4,5)1(6)7/h8H,2-7,9H2,1H3;2*(H,6,7).
What are the key properties of 2-(4-methylpiperidin-1-yl)ethanamine;bis(2,2,2-trifluoroacetic acid)?
2-(4-methylpiperidin-1-yl)ethanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 370.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)ethanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87609471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).