3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride

C15H24Cl3N3O2 — CID 119839360

IUPAC3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCl.Cl.NCCC(=O)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O2.2ClH/c16-13-3-1-2-4-14(13)21-12-11-18-7-9-19(10-8-18)15(20)5-6-17;;/h1-4H,5-12,17H2;2*1H
InChIKeyIVFXSXCNXXWQNT-UHFFFAOYSA-N
MW384.74 g/mol
LogP2.06
Rot. Bonds6

About 3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride

3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119839360) has the molecular formula C15H24Cl3N3O2 and a molecular weight of 384.74 g/mol. Its IUPAC name is 3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119839360
Molecular FormulaC15H24Cl3N3O2
Molecular Weight384.74 g/mol
Exact Mass383.09
IUPAC Name3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCl.Cl.NCCC(=O)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O2.2ClH/c16-13-3-1-2-4-14(13)21-12-11-18-7-9-19(10-8-18)15(20)5-6-17;;/h1-4H,5-12,17H2;2*1H
InChIKeyIVFXSXCNXXWQNT-UHFFFAOYSA-N
XLogP2.06
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.74
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 47014936
3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
CID 55490587
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 55361413
(2-aminophenyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 119946345
2-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-phenylethanone;dihydrochloride
CID 119839292
(3-aminocyclopentyl)-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839310
3-[3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 24584385
(2S)-2-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119839368
(2S)-2-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119839329
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55830155
1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 33323329

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride (CID 119839360) is 3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride is Cl.Cl.NCCC(=O)N1CCN(CCOc2ccccc2Cl)CC1.
What is the InChIKey of 3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is IVFXSXCNXXWQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2.2ClH/c16-13-3-1-2-4-14(13)21-12-11-18-7-9-19(10-8-18)15(20)5-6-17;;/h1-4H,5-12,17H2;2*1H.
What are the key properties of 3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride?
3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 384.74 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119839360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).