1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol

C23H31NO2 — CID 18807405

IUPAC1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CN2CCC(Cc3ccccc3)CC2)c1C
InChIInChI=1S/C23H31NO2/c1-18-7-6-10-23(19(18)2)26-17-22(25)16-24-13-11-21(12-14-24)15-20-8-4-3-5-9-20/h3-10,21-22,25H,11-17H2,1-2H3
InChIKeyYUEPRKAKQFHNRT-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.00
Rot. Bonds7

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

1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol (PubChem CID 18807405) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
PubChem CID18807405
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)CN2CCC(Cc3ccccc3)CC2)c1C
InChIInChI=1S/C23H31NO2/c1-18-7-6-10-23(19(18)2)26-17-22(25)16-24-13-11-21(12-14-24)15-20-8-4-3-5-9-20/h3-10,21-22,25H,11-17H2,1-2H3
InChIKeyYUEPRKAKQFHNRT-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 16798655
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
1-(azepan-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol chloride
CID 46863854
1-(2,3-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 16798644
1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride
CID 53313606
1-[2-[(2R)-3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 73351214
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 40786891
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 780314
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 111122489
(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
CID 111101940
1-(2,3-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 18807413

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol (CID 18807405) is 1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol is Cc1cccc(OCC(O)CN2CCC(Cc3ccccc3)CC2)c1C.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol?
The InChIKey is YUEPRKAKQFHNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-18-7-6-10-23(19(18)2)26-17-22(25)16-24-13-11-21(12-14-24)15-20-8-4-3-5-9-20/h3-10,21-22,25H,11-17H2,1-2H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol?
1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol has a molecular weight of 353.51 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 18807405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).