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

C16H26N2O2 — CID 79659327

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)C2CN(C)CCN2C)cc1
InChIInChI=1S/C16H26N2O2/c1-17-10-11-18(2)15(12-17)16(19)9-6-13-4-7-14(20-3)8-5-13/h4-5,7-8,15-16,19H,6,9-12H2,1-3H3
InChIKeyAHDYNQVYLNMLIN-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.23
Rot. Bonds5

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

1-(1,4-dimethylpiperazin-2-yl)-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 79659327) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-(4-methoxyphenyl)propan-1-ol
PubChem CID79659327
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)C2CN(C)CCN2C)cc1
InChIInChI=1S/C16H26N2O2/c1-17-10-11-18(2)15(12-17)16(19)9-6-13-4-7-14(20-3)8-5-13/h4-5,7-8,15-16,19H,6,9-12H2,1-3H3
InChIKeyAHDYNQVYLNMLIN-UHFFFAOYSA-N
XLogP1.23
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 79968888
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008349
3-(4-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)propan-1-ol
CID 65445692
1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol
CID 80603730
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
(1R)-3-(2,4-dimethoxyphenyl)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol
CID 129388716
(1,4-dimethylpiperazin-2-yl)-(4-methoxyphenyl)methanone
CID 79659060
(9aR)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98742869
(9aS)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 95127897
1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641
1-(1,4-dimethylpiperazin-2-yl)decan-1-ol
CID 79658821

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methoxyphenyl)propan-1-ol (CID 79659327) is 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)C2CN(C)CCN2C)cc1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is AHDYNQVYLNMLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-10-11-18(2)15(12-17)16(19)9-6-13-4-7-14(20-3)8-5-13/h4-5,7-8,15-16,19H,6,9-12H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methoxyphenyl)propan-1-ol?
1-(1,4-dimethylpiperazin-2-yl)-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 79659327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).