4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol;hydrochloride

C10H15ClF3N3O — CID 171483563

IUPAC4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol;hydrochloride
SMILESCl.OC1(Cn2cc(C(F)(F)F)cn2)CCNCC1
InChIInChI=1S/C10H14F3N3O.ClH/c11-10(12,13)8-5-15-16(6-8)7-9(17)1-3-14-4-2-9;/h5-6,14,17H,1-4,7H2;1H
InChIKeyMGRNBBNXAISEJX-UHFFFAOYSA-N
MW285.70 g/mol
LogP1.44
Rot. Bonds2

About 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol;hydrochloride

4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol;hydrochloride (PubChem CID 171483563) has the molecular formula C10H15ClF3N3O and a molecular weight of 285.70 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol;hydrochloride
PubChem CID171483563
Molecular FormulaC10H15ClF3N3O
Molecular Weight285.70 g/mol
Exact Mass285.09
IUPAC Name4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol;hydrochloride
SMILESCl.OC1(Cn2cc(C(F)(F)F)cn2)CCNCC1
InChIInChI=1S/C10H14F3N3O.ClH/c11-10(12,13)8-5-15-16(6-8)7-9(17)1-3-14-4-2-9;/h5-6,14,17H,1-4,7H2;1H
InChIKeyMGRNBBNXAISEJX-UHFFFAOYSA-N
XLogP1.44
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol;hydrochloride?
The IUPAC name of 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol;hydrochloride (CID 171483563) is 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol;hydrochloride?
The canonical SMILES for 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol;hydrochloride is Cl.OC1(Cn2cc(C(F)(F)F)cn2)CCNCC1.
What is the InChIKey of 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol;hydrochloride?
The InChIKey is MGRNBBNXAISEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O.ClH/c11-10(12,13)8-5-15-16(6-8)7-9(17)1-3-14-4-2-9;/h5-6,14,17H,1-4,7H2;1H.
What are the key properties of 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol;hydrochloride?
4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol;hydrochloride has a molecular weight of 285.70 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-ol;hydrochloride is sourced from PubChem (CID 171483563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).