1-[4-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride

C14H24ClF3N4O2 — CID 146470200

IUPAC1-[4-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride
SMILESCC(C)(O)CN1CCC(n2cc(N)c(OCC(F)(F)F)n2)CC1.Cl
InChIInChI=1S/C14H23F3N4O2.ClH/c1-13(2,22)8-20-5-3-10(4-6-20)21-7-11(18)12(19-21)23-9-14(15,16)17;/h7,10,22H,3-6,8-9,18H2,1-2H3;1H
InChIKeyUGODNDZSHCGHEE-UHFFFAOYSA-N
MW372.82 g/mol
LogP2.24
Rot. Bonds5

About 1-[4-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride

1-[4-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride (PubChem CID 146470200) has the molecular formula C14H24ClF3N4O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is 1-[4-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[4-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride
PubChem CID146470200
Molecular FormulaC14H24ClF3N4O2
Molecular Weight372.82 g/mol
Exact Mass372.15
IUPAC Name1-[4-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride
SMILESCC(C)(O)CN1CCC(n2cc(N)c(OCC(F)(F)F)n2)CC1.Cl
InChIInChI=1S/C14H23F3N4O2.ClH/c1-13(2,22)8-20-5-3-10(4-6-20)21-7-11(18)12(19-21)23-9-14(15,16)17;/h7,10,22H,3-6,8-9,18H2,1-2H3;1H
InChIKeyUGODNDZSHCGHEE-UHFFFAOYSA-N
XLogP2.24
TPSA76.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride?
The IUPAC name of 1-[4-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride (CID 146470200) is 1-[4-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-[4-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-[4-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride is CC(C)(O)CN1CCC(n2cc(N)c(OCC(F)(F)F)n2)CC1.Cl.
What is the InChIKey of 1-[4-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride?
The InChIKey is UGODNDZSHCGHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4O2.ClH/c1-13(2,22)8-20-5-3-10(4-6-20)21-7-11(18)12(19-21)23-9-14(15,16)17;/h7,10,22H,3-6,8-9,18H2,1-2H3;1H.
What are the key properties of 1-[4-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride?
1-[4-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride has a molecular weight of 372.82 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]piperidin-1-yl]-2-methylpropan-2-ol;hydrochloride is sourced from PubChem (CID 146470200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).