N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine

C17H29N3O — CID 62425678

IUPACN-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine
SMILESCCNCCCCN1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H29N3O/c1-3-18-10-4-5-11-19-12-14-20(15-13-19)16-6-8-17(21-2)9-7-16/h6-9,18H,3-5,10-15H2,1-2H3
InChIKeyGEAIPEDRNRESLA-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.21
Rot. Bonds8

About N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine

N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine (PubChem CID 62425678) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine
PubChem CID62425678
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine
SMILESCCNCCCCN1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H29N3O/c1-3-18-10-4-5-11-19-12-14-20(15-13-19)16-6-8-17(21-2)9-7-16/h6-9,18H,3-5,10-15H2,1-2H3
InChIKeyGEAIPEDRNRESLA-UHFFFAOYSA-N
XLogP2.21
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
N-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine
CID 23540146
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
CID 42390380
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol
CID 106802258
1-butyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-methylguanidine
CID 111151872
4-[4-(4-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 24693485
1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 139945708
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 42389281
1-ethyl-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111179920

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine (CID 62425678) is N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine is CCNCCCCN1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine?
The InChIKey is GEAIPEDRNRESLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-18-10-4-5-11-19-12-14-20(15-13-19)16-6-8-17(21-2)9-7-16/h6-9,18H,3-5,10-15H2,1-2H3.
What are the key properties of N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine?
N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 62425678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).