N,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine

C17H29N3O — CID 63214431

IUPACN,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine
SMILESCCN(CC)CCOc1ccc(N2CCNCC2)cc1C
InChIInChI=1S/C17H29N3O/c1-4-19(5-2)12-13-21-17-7-6-16(14-15(17)3)20-10-8-18-9-11-20/h6-7,14,18H,4-5,8-13H2,1-3H3
InChIKeyDCTKCRFQKYURIE-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.13
Rot. Bonds7

About N,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine

N,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine (PubChem CID 63214431) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine
PubChem CID63214431
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine
SMILESCCN(CC)CCOc1ccc(N2CCNCC2)cc1C
InChIInChI=1S/C17H29N3O/c1-4-19(5-2)12-13-21-17-7-6-16(14-15(17)3)20-10-8-18-9-11-20/h6-7,14,18H,4-5,8-13H2,1-3H3
InChIKeyDCTKCRFQKYURIE-UHFFFAOYSA-N
XLogP2.13
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine?
The IUPAC name of N,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine (CID 63214431) is N,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine?
The canonical SMILES for N,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine is CCN(CC)CCOc1ccc(N2CCNCC2)cc1C.
What is the InChIKey of N,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine?
The InChIKey is DCTKCRFQKYURIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-19(5-2)12-13-21-17-7-6-16(14-15(17)3)20-10-8-18-9-11-20/h6-7,14,18H,4-5,8-13H2,1-3H3.
What are the key properties of N,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine?
N,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine is sourced from PubChem (CID 63214431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).