2-chloro-4-(4-ethylpiperazin-1-yl)phenol

C12H17ClN2O — CID 71406560

IUPAC2-chloro-4-(4-ethylpiperazin-1-yl)phenol
SMILESCCN1CCN(c2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C12H17ClN2O/c1-2-14-5-7-15(8-6-14)10-3-4-12(16)11(13)9-10/h3-4,9,16H,2,5-8H2,1H3
InChIKeyWRLMERFCGZVEFP-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.19
Rot. Bonds2

About 2-chloro-4-(4-ethylpiperazin-1-yl)phenol

2-chloro-4-(4-ethylpiperazin-1-yl)phenol (PubChem CID 71406560) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-4-(4-ethylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name2-chloro-4-(4-ethylpiperazin-1-yl)phenol
PubChem CID71406560
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-4-(4-ethylpiperazin-1-yl)phenol
SMILESCCN1CCN(c2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C12H17ClN2O/c1-2-14-5-7-15(8-6-14)10-3-4-12(16)11(13)9-10/h3-4,9,16H,2,5-8H2,1H3
InChIKeyWRLMERFCGZVEFP-UHFFFAOYSA-N
XLogP2.19
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-ethylpiperazin-1-yl)phenol?
The IUPAC name of 2-chloro-4-(4-ethylpiperazin-1-yl)phenol (CID 71406560) is 2-chloro-4-(4-ethylpiperazin-1-yl)phenol.
What is the SMILES notation for 2-chloro-4-(4-ethylpiperazin-1-yl)phenol?
The canonical SMILES for 2-chloro-4-(4-ethylpiperazin-1-yl)phenol is CCN1CCN(c2ccc(O)c(Cl)c2)CC1.
What is the InChIKey of 2-chloro-4-(4-ethylpiperazin-1-yl)phenol?
The InChIKey is WRLMERFCGZVEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-2-14-5-7-15(8-6-14)10-3-4-12(16)11(13)9-10/h3-4,9,16H,2,5-8H2,1H3.
What are the key properties of 2-chloro-4-(4-ethylpiperazin-1-yl)phenol?
2-chloro-4-(4-ethylpiperazin-1-yl)phenol has a molecular weight of 240.73 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-ethylpiperazin-1-yl)phenol is sourced from PubChem (CID 71406560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).