[1-[(E)-3-phenylprop-2-enyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

C23H26F3NO — CID 42157533

IUPAC[1-[(E)-3-phenylprop-2-enyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2C(F)(F)F)CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H26F3NO/c24-23(25,26)21-11-5-4-10-20(21)17-22(18-28)12-15-27(16-13-22)14-6-9-19-7-2-1-3-8-19/h1-11,28H,12-18H2/b9-6+
InChIKeyPVHCKAJGOVDBNA-RMKNXTFCSA-N
MW389.46 g/mol
LogP5.04
Rot. Bonds6

About [1-[(E)-3-phenylprop-2-enyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol

[1-[(E)-3-phenylprop-2-enyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (PubChem CID 42157533) has the molecular formula C23H26F3NO and a molecular weight of 389.46 g/mol. Its IUPAC name is [1-[(E)-3-phenylprop-2-enyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(E)-3-phenylprop-2-enyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
PubChem CID42157533
Molecular FormulaC23H26F3NO
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name[1-[(E)-3-phenylprop-2-enyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2C(F)(F)F)CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H26F3NO/c24-23(25,26)21-11-5-4-10-20(21)17-22(18-28)12-15-27(16-13-22)14-6-9-19-7-2-1-3-8-19/h1-11,28H,12-18H2/b9-6+
InChIKeyPVHCKAJGOVDBNA-RMKNXTFCSA-N
XLogP5.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(E)-3-phenylprop-2-enyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(E)-3-phenylprop-2-enyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol (CID 42157533) is [1-[(E)-3-phenylprop-2-enyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(E)-3-phenylprop-2-enyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(E)-3-phenylprop-2-enyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is OCC1(Cc2ccccc2C(F)(F)F)CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of [1-[(E)-3-phenylprop-2-enyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
The InChIKey is PVHCKAJGOVDBNA-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H26F3NO/c24-23(25,26)21-11-5-4-10-20(21)17-22(18-28)12-15-27(16-13-22)14-6-9-19-7-2-1-3-8-19/h1-11,28H,12-18H2/b9-6+.
What are the key properties of [1-[(E)-3-phenylprop-2-enyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol?
[1-[(E)-3-phenylprop-2-enyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol has a molecular weight of 389.46 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-3-phenylprop-2-enyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 42157533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).