4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol

C14H21ClN2O2 — CID 117458585

IUPAC4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol
SMILESCOc1c(Cl)cc(CCN2CCNCC2)c(O)c1C
InChIInChI=1S/C14H21ClN2O2/c1-10-13(18)11(9-12(15)14(10)19-2)3-6-17-7-4-16-5-8-17/h9,16,18H,3-8H2,1-2H3
InChIKeyRRODPSMFRVHFCH-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.81
Rot. Bonds4

About 4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol

4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol (PubChem CID 117458585) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol.

Molecular Properties

Compound Name4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol
PubChem CID117458585
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol
SMILESCOc1c(Cl)cc(CCN2CCNCC2)c(O)c1C
InChIInChI=1S/C14H21ClN2O2/c1-10-13(18)11(9-12(15)14(10)19-2)3-6-17-7-4-16-5-8-17/h9,16,18H,3-8H2,1-2H3
InChIKeyRRODPSMFRVHFCH-UHFFFAOYSA-N
XLogP1.81
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine
CID 117481369
6-chloro-2-fluoro-3-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117466492
1-[2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)ethyl]piperazine
CID 117462557
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458584
5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083
5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117430088
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-[2-(5-chloro-3-ethyl-2-methoxyphenyl)ethyl]piperazine
CID 117454705
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82551173
2,3-dimethyl-6-(2-piperazin-1-ylethyl)phenol
CID 83896218
1-[2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)ethyl]piperazine
CID 82265920
1-[(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 117434676

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol?
The IUPAC name of 4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol (CID 117458585) is 4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol.
What is the SMILES notation for 4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol?
The canonical SMILES for 4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol is COc1c(Cl)cc(CCN2CCNCC2)c(O)c1C.
What is the InChIKey of 4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol?
The InChIKey is RRODPSMFRVHFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10-13(18)11(9-12(15)14(10)19-2)3-6-17-7-4-16-5-8-17/h9,16,18H,3-8H2,1-2H3.
What are the key properties of 4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol?
4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol has a molecular weight of 284.79 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-2-methyl-6-(2-piperazin-1-ylethyl)phenol is sourced from PubChem (CID 117458585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).