1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol

C15H24N2O — CID 82074620

IUPAC1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCc1ccc(C(O)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C15H24N2O/c1-12-3-4-14(13(2)11-12)15(18)5-8-17-9-6-16-7-10-17/h3-4,11,15-16,18H,5-10H2,1-2H3
InChIKeyCMALZKBUUBFSHN-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.63
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol

1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 82074620) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
PubChem CID82074620
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCc1ccc(C(O)CCN2CCNCC2)c(C)c1
InChIInChI=1S/C15H24N2O/c1-12-3-4-14(13(2)11-12)15(18)5-8-17-9-6-16-7-10-17/h3-4,11,15-16,18H,5-10H2,1-2H3
InChIKeyCMALZKBUUBFSHN-UHFFFAOYSA-N
XLogP1.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 4580010
1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074465
1-(2,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 3464047
(3S)-3-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 95459507
1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 82263741
1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82551176
1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82093877
(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
(2S)-2-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183158
4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol
CID 82265877
3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 116939906
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol (CID 82074620) is 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol is Cc1ccc(C(O)CCN2CCNCC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is CMALZKBUUBFSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-3-4-14(13(2)11-12)15(18)5-8-17-9-6-16-7-10-17/h3-4,11,15-16,18H,5-10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol?
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82074620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).