1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one

C19H31N3O — CID 113078817

IUPAC1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2ccc(N(CC)CC)cc2)CC1
InChIInChI=1S/C19H31N3O/c1-4-7-8-19(23)22-15-13-21(14-16-22)18-11-9-17(10-12-18)20(5-2)6-3/h9-12H,4-8,13-16H2,1-3H3
InChIKeyPKNTYDIBKAMQTL-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.37
Rot. Bonds7

About 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one

1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one (PubChem CID 113078817) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one
PubChem CID113078817
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2ccc(N(CC)CC)cc2)CC1
InChIInChI=1S/C19H31N3O/c1-4-7-8-19(23)22-15-13-21(14-16-22)18-11-9-17(10-12-18)20(5-2)6-3/h9-12H,4-8,13-16H2,1-3H3
InChIKeyPKNTYDIBKAMQTL-UHFFFAOYSA-N
XLogP3.37
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113078845
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113078847
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
CID 110873769
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
ethyl 4-(4-pentanoylpiperazin-1-yl)benzoate
CID 110672913
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 17217206
cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
CID 113078868
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one
CID 113075585
1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 113080325

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one (CID 113078817) is 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(c2ccc(N(CC)CC)cc2)CC1.
What is the InChIKey of 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one?
The InChIKey is PKNTYDIBKAMQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-7-8-19(23)22-15-13-21(14-16-22)18-11-9-17(10-12-18)20(5-2)6-3/h9-12H,4-8,13-16H2,1-3H3.
What are the key properties of 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one?
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one has a molecular weight of 317.48 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 113078817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).