2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one

C19H30N2O2 — CID 17217120

IUPAC2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H30N2O2/c1-4-6-7-16(5-2)19(22)21-14-12-20(13-15-21)17-8-10-18(23-3)11-9-17/h8-11,16H,4-7,12-15H2,1-3H3
InChIKeyYGRJFVKJEFJESW-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.56
Rot. Bonds7

About 2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one

2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one (PubChem CID 17217120) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one
PubChem CID17217120
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H30N2O2/c1-4-6-7-16(5-2)19(22)21-14-12-20(13-15-21)17-8-10-18(23-3)11-9-17/h8-11,16H,4-7,12-15H2,1-3H3
InChIKeyYGRJFVKJEFJESW-UHFFFAOYSA-N
XLogP3.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one
CID 55334269
2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 132663670
2-[4-[(2R)-2-ethylhexanoyl]piperazin-1-yl]-4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one
CID 136836751
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone
CID 60648289
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxohexanamide
CID 113097929
2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110416964
2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 18545089
(2S)-2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 7428494
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
N-butan-2-yl-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108941820

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one?
The IUPAC name of 2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one (CID 17217120) is 2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one?
The canonical SMILES for 2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one is CCCCC(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of 2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one?
The InChIKey is YGRJFVKJEFJESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-6-7-16(5-2)19(22)21-14-12-20(13-15-21)17-8-10-18(23-3)11-9-17/h8-11,16H,4-7,12-15H2,1-3H3.
What are the key properties of 2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one?
2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one has a molecular weight of 318.46 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 17217120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).