4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one

C17H26ClN3O2 — CID 120564268

IUPAC4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H26ClN3O2/c1-14(19)2-7-17(22)21-10-8-20(9-11-21)12-13-23-16-5-3-15(18)4-6-16/h3-6,14H,2,7-13,19H2,1H3
InChIKeyOIEAXWRUVDQMJR-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.99
Rot. Bonds7

About 4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one

4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one (PubChem CID 120564268) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one
PubChem CID120564268
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H26ClN3O2/c1-14(19)2-7-17(22)21-10-8-20(9-11-21)12-13-23-16-5-3-15(18)4-6-16/h3-6,14H,2,7-13,19H2,1H3
InChIKeyOIEAXWRUVDQMJR-UHFFFAOYSA-N
XLogP1.99
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylbutan-1-one
CID 120502550
3-(2-aminophenyl)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 120612068
N-[1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 86977373
4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride
CID 120566066
2-(4-chlorophenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638356
N-[4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 46438037
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 113074770
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
N-[(2R)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 39911529
1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 30007560
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one (CID 120564268) is 4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one is CC(N)CCC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one?
The InChIKey is OIEAXWRUVDQMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-14(19)2-7-17(22)21-10-8-20(9-11-21)12-13-23-16-5-3-15(18)4-6-16/h3-6,14H,2,7-13,19H2,1H3.
What are the key properties of 4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one?
4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one has a molecular weight of 339.87 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 120564268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).