2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanol

C13H19ClN2O2 — CID 94280809

IUPAC2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanol
SMILESCOc1ccc(Cl)cc1N1CCN(CCO)CC1
InChIInChI=1S/C13H19ClN2O2/c1-18-13-3-2-11(14)10-12(13)16-6-4-15(5-7-16)8-9-17/h2-3,10,17H,4-9H2,1H3
InChIKeyKYZVYYHHOQSGBV-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.46
Rot. Bonds4

About 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanol

2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanol (PubChem CID 94280809) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanol
PubChem CID94280809
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanol
SMILESCOc1ccc(Cl)cc1N1CCN(CCO)CC1
InChIInChI=1S/C13H19ClN2O2/c1-18-13-3-2-11(14)10-12(13)16-6-4-15(5-7-16)8-9-17/h2-3,10,17H,4-9H2,1H3
InChIKeyKYZVYYHHOQSGBV-UHFFFAOYSA-N
XLogP1.46
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanol (CID 94280809) is 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanol is COc1ccc(Cl)cc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanol?
The InChIKey is KYZVYYHHOQSGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-18-13-3-2-11(14)10-12(13)16-6-4-15(5-7-16)8-9-17/h2-3,10,17H,4-9H2,1H3.
What are the key properties of 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanol?
2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanol has a molecular weight of 270.76 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 94280809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).