N-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine

C17H29N3O2 — CID 23540146

IUPACN-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine
SMILESCCNCCN1CCN(c2ccc(OCCOC)cc2)CC1
InChIInChI=1S/C17H29N3O2/c1-3-18-8-9-19-10-12-20(13-11-19)16-4-6-17(7-5-16)22-15-14-21-2/h4-7,18H,3,8-15H2,1-2H3
InChIKeyWOGBBLSNJWNLKC-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.44
Rot. Bonds9

About N-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine

N-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine (PubChem CID 23540146) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine
PubChem CID23540146
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine
SMILESCCNCCN1CCN(c2ccc(OCCOC)cc2)CC1
InChIInChI=1S/C17H29N3O2/c1-3-18-8-9-19-10-12-20(13-11-19)16-4-6-17(7-5-16)22-15-14-21-2/h4-7,18H,3,8-15H2,1-2H3
InChIKeyWOGBBLSNJWNLKC-UHFFFAOYSA-N
XLogP1.44
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine?
The IUPAC name of N-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine (CID 23540146) is N-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine is CCNCCN1CCN(c2ccc(OCCOC)cc2)CC1.
What is the InChIKey of N-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine?
The InChIKey is WOGBBLSNJWNLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-18-8-9-19-10-12-20(13-11-19)16-4-6-17(7-5-16)22-15-14-21-2/h4-7,18H,3,8-15H2,1-2H3.
What are the key properties of N-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine?
N-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine has a molecular weight of 307.44 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 23540146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).