1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone

C16H25N3O — CID 43284244

IUPAC1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
SMILESCCNC(C)c1ccc(N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-4-17-13(2)15-5-7-16(8-6-15)19-11-9-18(10-12-19)14(3)20/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyAOFPSPGJHARANQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.03
Rot. Bonds4

About 1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone

1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone (PubChem CID 43284244) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
PubChem CID43284244
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
SMILESCCNC(C)c1ccc(N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-4-17-13(2)15-5-7-16(8-6-15)19-11-9-18(10-12-19)14(3)20/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyAOFPSPGJHARANQ-UHFFFAOYSA-N
XLogP2.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283918
1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone
CID 79590209
1-[4-[2-chloro-4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 62907806
1-[4-[4-(1-sulfanylethyl)phenyl]piperazin-1-yl]ethanone
CID 163789596
1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol
CID 55130210
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 63532857
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260
[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590380
1-[4-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 82956361
1-[4-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 82956165
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
N-[1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]ethyl]propan-1-amine
CID 43585360

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone (CID 43284244) is 1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone is CCNC(C)c1ccc(N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone?
The InChIKey is AOFPSPGJHARANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-17-13(2)15-5-7-16(8-6-15)19-11-9-18(10-12-19)14(3)20/h5-8,13,17H,4,9-12H2,1-3H3.
What are the key properties of 1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone?
1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 275.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 43284244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).