1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine

C14H25N3O — CID 67011254

IUPAC1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
SMILESCCOC1(N(C)C)C=CC(N2CCNCC2)=CC1
InChIInChI=1S/C14H25N3O/c1-4-18-14(16(2)3)7-5-13(6-8-14)17-11-9-15-10-12-17/h5-7,15H,4,8-12H2,1-3H3
InChIKeyJOPVWOSAQDKQJQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.03
Rot. Bonds4

About 1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine

1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine (PubChem CID 67011254) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
PubChem CID67011254
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
SMILESCCOC1(N(C)C)C=CC(N2CCNCC2)=CC1
InChIInChI=1S/C14H25N3O/c1-4-18-14(16(2)3)7-5-13(6-8-14)17-11-9-15-10-12-17/h5-7,15H,4,8-12H2,1-3H3
InChIKeyJOPVWOSAQDKQJQ-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine (CID 67011254) is 1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine is CCOC1(N(C)C)C=CC(N2CCNCC2)=CC1.
What is the InChIKey of 1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is JOPVWOSAQDKQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-18-14(16(2)3)7-5-13(6-8-14)17-11-9-15-10-12-17/h5-7,15H,4,8-12H2,1-3H3.
What are the key properties of 1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine?
1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 251.37 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67011254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).