1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol

C15H23IN2O — CID 115414970

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol
SMILESCN1CCN(C)C(CC(O)Cc2ccc(I)cc2)C1
InChIInChI=1S/C15H23IN2O/c1-17-7-8-18(2)14(11-17)10-15(19)9-12-3-5-13(16)6-4-12/h3-6,14-15,19H,7-11H2,1-2H3
InChIKeyQQIDQRTYEBXFPK-UHFFFAOYSA-N
MW374.27 g/mol
LogP1.83
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol

1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol (PubChem CID 115414970) has the molecular formula C15H23IN2O and a molecular weight of 374.27 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol
PubChem CID115414970
Molecular FormulaC15H23IN2O
Molecular Weight374.27 g/mol
Exact Mass374.09
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol
SMILESCN1CCN(C)C(CC(O)Cc2ccc(I)cc2)C1
InChIInChI=1S/C15H23IN2O/c1-17-7-8-18(2)14(11-17)10-15(19)9-12-3-5-13(16)6-4-12/h3-6,14-15,19H,7-11H2,1-2H3
InChIKeyQQIDQRTYEBXFPK-UHFFFAOYSA-N
XLogP1.83
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol
CID 115414918
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol
CID 115414893
1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 115414847
1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008451
1-(1,4-dimethylpiperazin-2-yl)-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793699
1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 115415255
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol
CID 115414955
2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine
CID 115415177
1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol
CID 104804190
2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol
CID 113305480
2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol
CID 115414917
1-(4-iodophenyl)pentan-2-ol
CID 65476847

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol (CID 115414970) is 1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol is CN1CCN(C)C(CC(O)Cc2ccc(I)cc2)C1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol?
The InChIKey is QQIDQRTYEBXFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2O/c1-17-7-8-18(2)14(11-17)10-15(19)9-12-3-5-13(16)6-4-12/h3-6,14-15,19H,7-11H2,1-2H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol?
1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol has a molecular weight of 374.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol is sourced from PubChem (CID 115414970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).