1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine

C16H26N2O3 — CID 82353822

IUPAC1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine
SMILESCOc1ccccc1OCCCOCCN1CCNCC1
InChIInChI=1S/C16H26N2O3/c1-19-15-5-2-3-6-16(15)21-13-4-12-20-14-11-18-9-7-17-8-10-18/h2-3,5-6,17H,4,7-14H2,1H3
InChIKeyWOPGAZGWBZBJDX-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.39
Rot. Bonds9

About 1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine

1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine (PubChem CID 82353822) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine
PubChem CID82353822
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine
SMILESCOc1ccccc1OCCCOCCN1CCNCC1
InChIInChI=1S/C16H26N2O3/c1-19-15-5-2-3-6-16(15)21-13-4-12-20-14-11-18-9-7-17-8-10-18/h2-3,5-6,17H,4,7-14H2,1H3
InChIKeyWOPGAZGWBZBJDX-UHFFFAOYSA-N
XLogP1.39
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine
CID 2298410
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperazine
CID 762602
1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690
1-[4-(2-bromophenoxy)butyl]piperazine
CID 2944247
1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride
CID 119906010
1-[6-(2-tert-butylphenoxy)hexyl]piperazine
CID 3399314
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
1-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2934115
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-one
CID 19794408
1-methoxy-4-(methoxymethyl)benzene;1-[4-[3-(2-methoxyphenoxy)propoxymethyl]phenyl]piperazine
CID 142950222

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine?
The IUPAC name of 1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine (CID 82353822) is 1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine.
What is the SMILES notation for 1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine?
The canonical SMILES for 1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine is COc1ccccc1OCCCOCCN1CCNCC1.
What is the InChIKey of 1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine?
The InChIKey is WOPGAZGWBZBJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-19-15-5-2-3-6-16(15)21-13-4-12-20-14-11-18-9-7-17-8-10-18/h2-3,5-6,17H,4,7-14H2,1H3.
What are the key properties of 1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine?
1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine has a molecular weight of 294.39 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine is sourced from PubChem (CID 82353822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).