(3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid

C11H16F3N3O3 — CID 170306643

IUPAC(3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid
SMILESCn1cc(O[C@@H]2CCCNC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H15N3O.C2HF3O2/c1-12-7-9(6-11-12)13-8-3-2-4-10-5-8;3-2(4,5)1(6)7/h6-8,10H,2-5H2,1H3;(H,6,7)/t8-;/m1./s1
InChIKeySQANCXJUKIFQBD-DDWIOCJRSA-N
MW295.26 g/mol
LogP1.18
Rot. Bonds2

About (3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid

(3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid (PubChem CID 170306643) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is (3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid
PubChem CID170306643
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name(3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid
SMILESCn1cc(O[C@@H]2CCCNC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H15N3O.C2HF3O2/c1-12-7-9(6-11-12)13-8-3-2-4-10-5-8;3-2(4,5)1(6)7/h6-8,10H,2-5H2,1H3;(H,6,7)/t8-;/m1./s1
InChIKeySQANCXJUKIFQBD-DDWIOCJRSA-N
XLogP1.18
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of (3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid (CID 170306643) is (3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid is Cn1cc(O[C@@H]2CCCNC2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of (3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is SQANCXJUKIFQBD-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H15N3O.C2HF3O2/c1-12-7-9(6-11-12)13-8-3-2-4-10-5-8;3-2(4,5)1(6)7/h6-8,10H,2-5H2,1H3;(H,6,7)/t8-;/m1./s1.
What are the key properties of (3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid?
(3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 295.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-methylpyrazol-4-yl)oxypiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170306643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).