1-[(1-propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

C13H20F3N3O — CID 75509389

IUPAC1-[(1-propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCCCn1cc(CN2CCC(O)(C(F)(F)F)CC2)cn1
InChIInChI=1S/C13H20F3N3O/c1-2-5-19-10-11(8-17-19)9-18-6-3-12(20,4-7-18)13(14,15)16/h8,10,20H,2-7,9H2,1H3
InChIKeyRKRVNXIYVVUFMM-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.18
Rot. Bonds4

About 1-[(1-propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

1-[(1-propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 75509389) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-[(1-propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(1-propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID75509389
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name1-[(1-propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCCCn1cc(CN2CCC(O)(C(F)(F)F)CC2)cn1
InChIInChI=1S/C13H20F3N3O/c1-2-5-19-10-11(8-17-19)9-18-6-3-12(20,4-7-18)13(14,15)16/h8,10,20H,2-7,9H2,1H3
InChIKeyRKRVNXIYVVUFMM-UHFFFAOYSA-N
XLogP2.18
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[(1-propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (CID 75509389) is 1-[(1-propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(1-propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[(1-propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is CCCn1cc(CN2CCC(O)(C(F)(F)F)CC2)cn1.
What is the InChIKey of 1-[(1-propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is RKRVNXIYVVUFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-2-5-19-10-11(8-17-19)9-18-6-3-12(20,4-7-18)13(14,15)16/h8,10,20H,2-7,9H2,1H3.
What are the key properties of 1-[(1-propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[(1-propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 291.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 75509389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).