1-benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol

C22H29NO2 — CID 14810469

IUPAC1-benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol
SMILESCC1CCC(C)N1CC(O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2/c1-17-13-14-18(2)23(17)15-21(24)16-25-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21-22,24H,13-16H2,1-2H3
InChIKeyPASGDOWIXPAUQU-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.03
Rot. Bonds7

About 1-benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol

1-benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol (PubChem CID 14810469) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol
PubChem CID14810469
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol
SMILESCC1CCC(C)N1CC(O)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2/c1-17-13-14-18(2)23(17)15-21(24)16-25-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21-22,24H,13-16H2,1-2H3
InChIKeyPASGDOWIXPAUQU-UHFFFAOYSA-N
XLogP4.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol (CID 14810469) is 1-benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol is CC1CCC(C)N1CC(O)COC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is PASGDOWIXPAUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-17-13-14-18(2)23(17)15-21(24)16-25-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,21-22,24H,13-16H2,1-2H3.
What are the key properties of 1-benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol?
1-benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 339.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryloxy-3-(2,5-dimethylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 14810469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).