[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone

C23H24F3NO2 — CID 86937419

IUPAC[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESO=C(C1CC1c1cccc(C(F)(F)F)c1)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C23H24F3NO2/c24-23(25,26)18-8-4-7-17(13-18)19-14-20(19)22(29)27-11-9-16(10-12-27)21(28)15-5-2-1-3-6-15/h1-8,13,16,19-21,28H,9-12,14H2
InChIKeyJVWDAGQKQPKJBH-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.78
Rot. Bonds4

About [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone

[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone (PubChem CID 86937419) has the molecular formula C23H24F3NO2 and a molecular weight of 403.44 g/mol. Its IUPAC name is [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
PubChem CID86937419
Molecular FormulaC23H24F3NO2
Molecular Weight403.44 g/mol
Exact Mass403.18
IUPAC Name[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESO=C(C1CC1c1cccc(C(F)(F)F)c1)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C23H24F3NO2/c24-23(25,26)18-8-4-7-17(13-18)19-14-20(19)22(29)27-11-9-16(10-12-27)21(28)15-5-2-1-3-6-15/h1-8,13,16,19-21,28H,9-12,14H2
InChIKeyJVWDAGQKQPKJBH-UHFFFAOYSA-N
XLogP4.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The IUPAC name of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone (CID 86937419) is [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone.
What is the SMILES notation for [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The canonical SMILES for [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone is O=C(C1CC1c1cccc(C(F)(F)F)c1)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The InChIKey is JVWDAGQKQPKJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO2/c24-23(25,26)18-8-4-7-17(13-18)19-14-20(19)22(29)27-11-9-16(10-12-27)21(28)15-5-2-1-3-6-15/h1-8,13,16,19-21,28H,9-12,14H2.
What are the key properties of [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone?
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone has a molecular weight of 403.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 86937419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).