1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol

C18H28N2O2 — CID 74224304

IUPAC1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CN1CCN(c2ccc(C)cc2C)CC1
InChIInChI=1S/C18H28N2O2/c1-4-11-22-14-17(21)13-19-7-9-20(10-8-19)18-6-5-15(2)12-16(18)3/h4-6,12,17,21H,1,7-11,13-14H2,2-3H3
InChIKeyCKJYVNPBRCLTCX-UHFFFAOYSA-N
MW304.43 g/mol
LogP1.99
Rot. Bonds7

About 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol

1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol (PubChem CID 74224304) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
PubChem CID74224304
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CN1CCN(c2ccc(C)cc2C)CC1
InChIInChI=1S/C18H28N2O2/c1-4-11-22-14-17(21)13-19-7-9-20(10-8-19)18-6-5-15(2)12-16(18)3/h4-6,12,17,21H,1,7-11,13-14H2,2-3H3
InChIKeyCKJYVNPBRCLTCX-UHFFFAOYSA-N
XLogP1.99
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-[4-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133117
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 18593538
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 29132325
1-[4-(2-hydroxy-3-prop-2-enoxypropyl)-1,4-diazepan-1-yl]-3-prop-2-enoxypropan-2-ol
CID 86764691
1-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 42844417
(2R)-1-(2,4-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1036651
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-ethoxypropan-2-ol
CID 3733106
1-(2,4-dimethylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 24761594
(2S)-1-(2,5-dimethylphenoxy)-3-[4-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629005
1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 63933549
1-[4-[2-hydroxy-3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-2-ol
CID 19133197
(2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 1050588

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol (CID 74224304) is 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)CN1CCN(c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol?
The InChIKey is CKJYVNPBRCLTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-11-22-14-17(21)13-19-7-9-20(10-8-19)18-6-5-15(2)12-16(18)3/h4-6,12,17,21H,1,7-11,13-14H2,2-3H3.
What are the key properties of 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol?
1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol has a molecular weight of 304.43 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 74224304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).