2-[cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid

C12H21F3N2O3 — CID 126522359

IUPAC2-[cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCCN(C1CCNCC1)C1CC1
InChIInChI=1S/C10H20N2O.C2HF3O2/c13-8-7-12(9-1-2-9)10-3-5-11-6-4-10;3-2(4,5)1(6)7/h9-11,13H,1-8H2;(H,6,7)
InChIKeyRRRUONRTUJLDOY-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.83
Rot. Bonds4

About 2-[cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid

2-[cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid (PubChem CID 126522359) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid
PubChem CID126522359
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name2-[cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCCN(C1CCNCC1)C1CC1
InChIInChI=1S/C10H20N2O.C2HF3O2/c13-8-7-12(9-1-2-9)10-3-5-11-6-4-10;3-2(4,5)1(6)7/h9-11,13H,1-8H2;(H,6,7)
InChIKeyRRRUONRTUJLDOY-UHFFFAOYSA-N
XLogP0.83
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid (CID 126522359) is 2-[cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OCCN(C1CCNCC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid?
The InChIKey is RRRUONRTUJLDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C2HF3O2/c13-8-7-12(9-1-2-9)10-3-5-11-6-4-10;3-2(4,5)1(6)7/h9-11,13H,1-8H2;(H,6,7).
What are the key properties of 2-[cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid?
2-[cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 298.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(piperidin-4-yl)amino]ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 126522359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).