1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol

C22H30N2O2 — CID 134058236

IUPAC1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESCc1cccc(OCC(O)CN2CCN(Cc3ccccc3C)CC2)c1
InChIInChI=1S/C22H30N2O2/c1-18-6-5-9-22(14-18)26-17-21(25)16-24-12-10-23(11-13-24)15-20-8-4-3-7-19(20)2/h3-9,14,21,25H,10-13,15-17H2,1-2H3
InChIKeyXNRSFIYGAWEXQJ-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.86
Rot. Bonds7

About 1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol

1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 134058236) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID134058236
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESCc1cccc(OCC(O)CN2CCN(Cc3ccccc3C)CC2)c1
InChIInChI=1S/C22H30N2O2/c1-18-6-5-9-22(14-18)26-17-21(25)16-24-12-10-23(11-13-24)15-20-8-4-3-7-19(20)2/h3-9,14,21,25H,10-13,15-17H2,1-2H3
InChIKeyXNRSFIYGAWEXQJ-UHFFFAOYSA-N
XLogP2.86
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 3095128
(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 2139548
2-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 30738897
(2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol
CID 95067056
1-(4-benzylpiperazin-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol dichloride
CID 21237844
(2R)-1-(2,5-dimethylphenoxy)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 30960704
2-[4-[2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-2-(4-methylphenyl)acetamide
CID 70048413
1-(2,6-dimethylphenoxy)-3-[4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 23739744
(2S)-1-(4-methylphenoxy)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 92856434
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
(2R)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 764656

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol (CID 134058236) is 1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol is Cc1cccc(OCC(O)CN2CCN(Cc3ccccc3C)CC2)c1.
What is the InChIKey of 1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is XNRSFIYGAWEXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-18-6-5-9-22(14-18)26-17-21(25)16-24-12-10-23(11-13-24)15-20-8-4-3-7-19(20)2/h3-9,14,21,25H,10-13,15-17H2,1-2H3.
What are the key properties of 1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol?
1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 354.49 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 134058236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).