2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol

C16H25ClN2O3 — CID 112540464

IUPAC2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol
SMILESCCOc1cc(C(CO)N2CCN(C)CC2C)cc(Cl)c1O
InChIInChI=1S/C16H25ClN2O3/c1-4-22-15-8-12(7-13(17)16(15)21)14(10-20)19-6-5-18(3)9-11(19)2/h7-8,11,14,20-21H,4-6,9-10H2,1-3H3
InChIKeyMVLAGPBFHOLZOB-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.11
Rot. Bonds5

About 2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol

2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol (PubChem CID 112540464) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol
PubChem CID112540464
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol
SMILESCCOc1cc(C(CO)N2CCN(C)CC2C)cc(Cl)c1O
InChIInChI=1S/C16H25ClN2O3/c1-4-22-15-8-12(7-13(17)16(15)21)14(10-20)19-6-5-18(3)9-11(19)2/h7-8,11,14,20-21H,4-6,9-10H2,1-3H3
InChIKeyMVLAGPBFHOLZOB-UHFFFAOYSA-N
XLogP2.11
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)acetic acid
CID 83979954
2-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 83979744
2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
CID 112540365
2-chloro-6-ethoxy-4-[1-(4-ethylpiperazin-1-yl)-2-hydroxyethyl]phenol
CID 112540462
2-(2,4-dimethylpiperazin-1-yl)-2-(3-ethoxy-4-propoxyphenyl)ethanamine
CID 83979135
(3-chloro-5-ethoxy-4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanethione
CID 135578993
2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol
CID 112540510
2-(3-chloro-4-ethoxyphenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanamine
CID 83979851
(3-chloro-5-ethoxy-4-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanethione
CID 137059437
2-(2,4-dimethylpiperazin-1-yl)-2-(4-methoxy-3-propoxyphenyl)ethanamine
CID 83979522
2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol
CID 112539285
4-amino-2-chloro-6-ethoxyphenol
CID 86120469

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol?
The IUPAC name of 2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol (CID 112540464) is 2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol.
What is the SMILES notation for 2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol?
The canonical SMILES for 2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol is CCOc1cc(C(CO)N2CCN(C)CC2C)cc(Cl)c1O.
What is the InChIKey of 2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol?
The InChIKey is MVLAGPBFHOLZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3/c1-4-22-15-8-12(7-13(17)16(15)21)14(10-20)19-6-5-18(3)9-11(19)2/h7-8,11,14,20-21H,4-6,9-10H2,1-3H3.
What are the key properties of 2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol?
2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol has a molecular weight of 328.84 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol is sourced from PubChem (CID 112540464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).