4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol

C14H22ClN3O — CID 83979614

IUPAC4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol
SMILESCCN1CCN(C(CN)c2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C14H22ClN3O/c1-2-17-5-7-18(8-6-17)13(10-16)11-3-4-14(19)12(15)9-11/h3-4,9,13,19H,2,5-8,10,16H2,1H3
InChIKeyBINGHGGSSRQSLY-UHFFFAOYSA-N
MW283.80 g/mol
LogP1.68
Rot. Bonds4

About 4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol

4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol (PubChem CID 83979614) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol
PubChem CID83979614
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol
SMILESCCN1CCN(C(CN)c2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C14H22ClN3O/c1-2-17-5-7-18(8-6-17)13(10-16)11-3-4-14(19)12(15)9-11/h3-4,9,13,19H,2,5-8,10,16H2,1H3
InChIKeyBINGHGGSSRQSLY-UHFFFAOYSA-N
XLogP1.68
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 65021916
2-(3-bromo-4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 83231104
4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol
CID 16789817
2-(4-ethylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanamine
CID 16782572
2-chloro-4-[(1S)-1-piperazin-1-ylbutyl]phenol
CID 171275716
2-(3-chloro-4-methylphenyl)-2-piperidin-1-ylethanamine
CID 106817233
2-(azocan-1-yl)-2-(3-chloro-4-methylphenyl)ethanamine
CID 106817246
2-(3-chloro-4-methylphenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 106817408
2-chloro-4-(4-ethylpiperazin-1-yl)phenol
CID 71406560
2-(4-ethylpiperazin-1-yl)-2-[4-(2-methylpropoxy)phenyl]ethanamine
CID 83979698
2-(3,4-dichlorophenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43105682
2-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-5-methoxyphenol
CID 82043681

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol?
The IUPAC name of 4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol (CID 83979614) is 4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol.
What is the SMILES notation for 4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol?
The canonical SMILES for 4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol is CCN1CCN(C(CN)c2ccc(O)c(Cl)c2)CC1.
What is the InChIKey of 4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol?
The InChIKey is BINGHGGSSRQSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-2-17-5-7-18(8-6-17)13(10-16)11-3-4-14(19)12(15)9-11/h3-4,9,13,19H,2,5-8,10,16H2,1H3.
What are the key properties of 4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol?
4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol has a molecular weight of 283.80 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(4-ethylpiperazin-1-yl)ethyl]-2-chlorophenol is sourced from PubChem (CID 83979614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).