1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol

C14H22N2O2 — CID 3095128

IUPAC1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
SMILESCc1cccc(OCC(O)CN2CCNCC2)c1
InChIInChI=1S/C14H22N2O2/c1-12-3-2-4-14(9-12)18-11-13(17)10-16-7-5-15-6-8-16/h2-4,9,13,15,17H,5-8,10-11H2,1H3
InChIKeyBVNOFCQWFWCWSL-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.64
Rot. Bonds5

About 1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol

1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol (PubChem CID 3095128) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
PubChem CID3095128
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
SMILESCc1cccc(OCC(O)CN2CCNCC2)c1
InChIInChI=1S/C14H22N2O2/c1-12-3-2-4-14(9-12)18-11-13(17)10-16-7-5-15-6-8-16/h2-4,9,13,15,17H,5-8,10-11H2,1H3
InChIKeyBVNOFCQWFWCWSL-UHFFFAOYSA-N
XLogP0.64
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol
CID 95067056
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
(2R)-1-(1,4-diazepan-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 95067042
1-(3-methylphenoxy)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 134058236
2-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 30738897
1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol
CID 65449830
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
2-[4-[2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-2-(4-methylphenyl)acetamide
CID 70048413
1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol
CID 65449645
1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 65448136
1-(3-methylphenoxy)-3-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898554

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol (CID 3095128) is 1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol is Cc1cccc(OCC(O)CN2CCNCC2)c1.
What is the InChIKey of 1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is BVNOFCQWFWCWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12-3-2-4-14(9-12)18-11-13(17)10-16-7-5-15-6-8-16/h2-4,9,13,15,17H,5-8,10-11H2,1H3.
What are the key properties of 1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol?
1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 3095128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).