[3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol

C23H31NO — CID 23723226

IUPAC[3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol
SMILESOCC1(CCc2ccccc2)CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C23H31NO/c25-20-23(16-14-22-11-5-2-6-12-22)15-8-18-24(19-23)17-7-13-21-9-3-1-4-10-21/h1-6,9-12,25H,7-8,13-20H2
InChIKeyZMKGJJVJAOEAJN-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.33
Rot. Bonds8

About [3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol

[3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol (PubChem CID 23723226) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is [3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol
PubChem CID23723226
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name[3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol
SMILESOCC1(CCc2ccccc2)CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C23H31NO/c25-20-23(16-14-22-11-5-2-6-12-22)15-8-18-24(19-23)17-7-13-21-9-3-1-4-10-21/h1-6,9-12,25H,7-8,13-20H2
InChIKeyZMKGJJVJAOEAJN-UHFFFAOYSA-N
XLogP4.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol?
The IUPAC name of [3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol (CID 23723226) is [3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol is OCC1(CCc2ccccc2)CCCN(CCCc2ccccc2)C1.
What is the InChIKey of [3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol?
The InChIKey is ZMKGJJVJAOEAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c25-20-23(16-14-22-11-5-2-6-12-22)15-8-18-24(19-23)17-7-13-21-9-3-1-4-10-21/h1-6,9-12,25H,7-8,13-20H2.
What are the key properties of [3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol?
[3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol has a molecular weight of 337.51 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-phenylethyl)-1-(3-phenylpropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 23723226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).