1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C19H24F3N3O — CID 56905869

IUPAC1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCCCn1ccnc1CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H24F3N3O/c1-2-9-25-12-8-23-17(25)14-24-10-6-18(26,7-11-24)15-4-3-5-16(13-15)19(20,21)22/h3-5,8,12-13,26H,2,6-7,9-11,14H2,1H3
InChIKeyIXWJMDSUTGQUKD-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.80
Rot. Bonds5

About 1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 56905869) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID56905869
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCCCn1ccnc1CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H24F3N3O/c1-2-9-25-12-8-23-17(25)14-24-10-6-18(26,7-11-24)15-4-3-5-16(13-15)19(20,21)22/h3-5,8,12-13,26H,2,6-7,9-11,14H2,1H3
InChIKeyIXWJMDSUTGQUKD-UHFFFAOYSA-N
XLogP3.80
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 56905869) is 1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is CCCn1ccnc1CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is IXWJMDSUTGQUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-2-9-25-12-8-23-17(25)14-24-10-6-18(26,7-11-24)15-4-3-5-16(13-15)19(20,21)22/h3-5,8,12-13,26H,2,6-7,9-11,14H2,1H3.
What are the key properties of 1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 367.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propylimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 56905869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).