2-benzhydryloxy-3-(4-benzylpiperidin-1-yl)propan-1-ol

C28H33NO2 — CID 127026605

IUPAC2-benzhydryloxy-3-(4-benzylpiperidin-1-yl)propan-1-ol
SMILESOCC(CN1CCC(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO2/c30-22-27(21-29-18-16-24(17-19-29)20-23-10-4-1-5-11-23)31-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27-28,30H,16-22H2
InChIKeyCPOIFTHUTWZTPZ-UHFFFAOYSA-N
MW415.58 g/mol
LogP5.11
Rot. Bonds9

About 2-benzhydryloxy-3-(4-benzylpiperidin-1-yl)propan-1-ol

2-benzhydryloxy-3-(4-benzylpiperidin-1-yl)propan-1-ol (PubChem CID 127026605) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 2-benzhydryloxy-3-(4-benzylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-benzhydryloxy-3-(4-benzylpiperidin-1-yl)propan-1-ol
PubChem CID127026605
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name2-benzhydryloxy-3-(4-benzylpiperidin-1-yl)propan-1-ol
SMILESOCC(CN1CCC(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO2/c30-22-27(21-29-18-16-24(17-19-29)20-23-10-4-1-5-11-23)31-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27-28,30H,16-22H2
InChIKeyCPOIFTHUTWZTPZ-UHFFFAOYSA-N
XLogP5.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-3-(4-benzylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 2-benzhydryloxy-3-(4-benzylpiperidin-1-yl)propan-1-ol (CID 127026605) is 2-benzhydryloxy-3-(4-benzylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 2-benzhydryloxy-3-(4-benzylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 2-benzhydryloxy-3-(4-benzylpiperidin-1-yl)propan-1-ol is OCC(CN1CCC(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydryloxy-3-(4-benzylpiperidin-1-yl)propan-1-ol?
The InChIKey is CPOIFTHUTWZTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c30-22-27(21-29-18-16-24(17-19-29)20-23-10-4-1-5-11-23)31-28(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27-28,30H,16-22H2.
What are the key properties of 2-benzhydryloxy-3-(4-benzylpiperidin-1-yl)propan-1-ol?
2-benzhydryloxy-3-(4-benzylpiperidin-1-yl)propan-1-ol has a molecular weight of 415.58 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-3-(4-benzylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 127026605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).