1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol

C15H23ClN2O2 — CID 82551176

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCOc1cc(Cl)c(C)cc1C(O)CCN1CCNCC1
InChIInChI=1S/C15H23ClN2O2/c1-11-9-12(15(20-2)10-13(11)16)14(19)3-6-18-7-4-17-5-8-18/h9-10,14,17,19H,3-8H2,1-2H3
InChIKeyRHCNKSOAIAEGGR-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.99
Rot. Bonds5

About 1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol

1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 82551176) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol
PubChem CID82551176
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol
SMILESCOc1cc(Cl)c(C)cc1C(O)CCN1CCNCC1
InChIInChI=1S/C15H23ClN2O2/c1-11-9-12(15(20-2)10-13(11)16)14(19)3-6-18-7-4-17-5-8-18/h9-10,14,17,19H,3-8H2,1-2H3
InChIKeyRHCNKSOAIAEGGR-UHFFFAOYSA-N
XLogP1.99
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-4,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 5136943
1-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82093877
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82551173
1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074465
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074620
4-chloro-2-(1-hydroxy-3-piperazin-1-ylpropyl)-6-propan-2-ylphenol
CID 82265877
1-(5-chloro-2-methoxy-4-methylphenyl)-3-methylsulfanylpropan-1-ol
CID 116831112
2-chloro-1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 116863542
1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
CID 82135890
1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 82263741
1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073865
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol (CID 82551176) is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol is COc1cc(Cl)c(C)cc1C(O)CCN1CCNCC1.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is RHCNKSOAIAEGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-11-9-12(15(20-2)10-13(11)16)14(19)3-6-18-7-4-17-5-8-18/h9-10,14,17,19H,3-8H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol?
1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 298.81 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82551176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).