1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine

C16H26N2O2 — CID 103414050

IUPAC1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine
SMILESCOCCOCCCN1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H26N2O2/c1-19-12-13-20-11-5-9-18-10-8-17-16(14-18)15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3
InChIKeyDXDHQLYYRQSEQB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.69
Rot. Bonds8

About 1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine

1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine (PubChem CID 103414050) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine
PubChem CID103414050
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine
SMILESCOCCOCCCN1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H26N2O2/c1-19-12-13-20-11-5-9-18-10-8-17-16(14-18)15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3
InChIKeyDXDHQLYYRQSEQB-UHFFFAOYSA-N
XLogP1.69
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-1-(3-propoxypropyl)piperazine
CID 82947433
1-[3-(2-methoxyethoxy)propyl]-3-methylpiperazine
CID 103411083
1-[2-(3-methylbutoxy)ethyl]-3-phenyl-1,4-diazepane
CID 64859236
1-(2-ethylsulfanylethyl)-3-phenylpiperazine
CID 113474467
1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine
CID 103414044
(3S)-1-benzyl-3-phenylpiperazine
CID 51910764
3-benzyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazepane
CID 64858408
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine
CID 103181598
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine
CID 103016180
1-(2,2-difluoroethyl)-3-phenylpiperazine
CID 64834472
3-phenyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64831892
1-[4-(2-methoxyethoxy)butyl]-3-methyl-1,4-diazepane
CID 113464190

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine (CID 103414050) is 1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine is COCCOCCCN1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine?
The InChIKey is DXDHQLYYRQSEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-19-12-13-20-11-5-9-18-10-8-17-16(14-18)15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3.
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine?
1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine has a molecular weight of 278.40 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-3-phenylpiperazine is sourced from PubChem (CID 103414050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).