1-(1H-indol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C21H21F3N2O — CID 56896443

IUPAC1-(1H-indol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C21H21F3N2O/c22-21(23,24)18-3-1-2-17(13-18)20(27)7-10-26(11-8-20)14-15-4-5-19-16(12-15)6-9-25-19/h1-6,9,12-13,25,27H,7-8,10-11,14H2
InChIKeySQZXYOBAARFCAS-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.67
Rot. Bonds3

About 1-(1H-indol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-(1H-indol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 56896443) has the molecular formula C21H21F3N2O and a molecular weight of 374.41 g/mol. Its IUPAC name is 1-(1H-indol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(1H-indol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID56896443
Molecular FormulaC21H21F3N2O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name1-(1H-indol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C21H21F3N2O/c22-21(23,24)18-3-1-2-17(13-18)20(27)7-10-26(11-8-20)14-15-4-5-19-16(12-15)6-9-25-19/h1-6,9,12-13,25,27H,7-8,10-11,14H2
InChIKeySQZXYOBAARFCAS-UHFFFAOYSA-N
XLogP4.67
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-(1H-indol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 56896443) is 1-(1H-indol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-(1H-indol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-(1H-indol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of 1-(1H-indol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is SQZXYOBAARFCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O/c22-21(23,24)18-3-1-2-17(13-18)20(27)7-10-26(11-8-20)14-15-4-5-19-16(12-15)6-9-25-19/h1-6,9,12-13,25,27H,7-8,10-11,14H2.
What are the key properties of 1-(1H-indol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-(1H-indol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 374.41 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 56896443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).