[4-(2-phenylethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methanol

C23H29NO — CID 23723787

IUPAC[4-(2-phenylethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methanol
SMILESOCC1(CCc2ccccc2)CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H29NO/c25-20-23(14-13-22-10-5-2-6-11-22)15-18-24(19-16-23)17-7-12-21-8-3-1-4-9-21/h1-12,25H,13-20H2/b12-7+
InChIKeyCUVQZAIOURJFLM-KPKJPENVSA-N
MW335.49 g/mol
LogP4.41
Rot. Bonds7

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

[4-(2-phenylethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methanol (PubChem CID 23723787) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is [4-(2-phenylethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-phenylethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methanol
PubChem CID23723787
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name[4-(2-phenylethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methanol
SMILESOCC1(CCc2ccccc2)CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H29NO/c25-20-23(14-13-22-10-5-2-6-11-22)15-18-24(19-16-23)17-7-12-21-8-3-1-4-9-21/h1-12,25H,13-20H2/b12-7+
InChIKeyCUVQZAIOURJFLM-KPKJPENVSA-N
XLogP4.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methanol?
The IUPAC name of [4-(2-phenylethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methanol (CID 23723787) is [4-(2-phenylethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-(2-phenylethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-(2-phenylethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methanol is OCC1(CCc2ccccc2)CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of [4-(2-phenylethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methanol?
The InChIKey is CUVQZAIOURJFLM-KPKJPENVSA-N. The full InChI is InChI=1S/C23H29NO/c25-20-23(14-13-22-10-5-2-6-11-22)15-18-24(19-16-23)17-7-12-21-8-3-1-4-9-21/h1-12,25H,13-20H2/b12-7+.
What are the key properties of [4-(2-phenylethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methanol?
[4-(2-phenylethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methanol has a molecular weight of 335.49 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methanol is sourced from PubChem (CID 23723787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).