1-benzhydryloxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol

C23H31NO2 — CID 14810467

IUPAC1-benzhydryloxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCC(C)N1CC(O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-18-10-9-11-19(2)24(18)16-22(25)17-26-23(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-8,12-15,18-19,22-23,25H,9-11,16-17H2,1-2H3
InChIKeyJGCOVNBZGICBIO-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.42
Rot. Bonds7

About 1-benzhydryloxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol

1-benzhydryloxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol (PubChem CID 14810467) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-benzhydryloxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-benzhydryloxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
PubChem CID14810467
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name1-benzhydryloxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCC(C)N1CC(O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO2/c1-18-10-9-11-19(2)24(18)16-22(25)17-26-23(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-8,12-15,18-19,22-23,25H,9-11,16-17H2,1-2H3
InChIKeyJGCOVNBZGICBIO-UHFFFAOYSA-N
XLogP4.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryloxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-benzhydryloxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol (CID 14810467) is 1-benzhydryloxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-benzhydryloxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-benzhydryloxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol is CC1CCCC(C)N1CC(O)COC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryloxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
The InChIKey is JGCOVNBZGICBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-18-10-9-11-19(2)24(18)16-22(25)17-26-23(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-8,12-15,18-19,22-23,25H,9-11,16-17H2,1-2H3.
What are the key properties of 1-benzhydryloxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol?
1-benzhydryloxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol has a molecular weight of 353.51 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryloxy-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 14810467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).