1,4-bis(2-phenylmethoxyethyl)piperazine

C22H30N2O2 — CID 2973061

IUPAC1,4-bis(2-phenylmethoxyethyl)piperazine
SMILESc1ccc(COCCN2CCN(CCOCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N2O2/c1-3-7-21(8-4-1)19-25-17-15-23-11-13-24(14-12-23)16-18-26-20-22-9-5-2-6-10-22/h1-10H,11-20H2
InChIKeyJQQBBCXFNAHTTD-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.04
Rot. Bonds10

About 1,4-bis(2-phenylmethoxyethyl)piperazine

1,4-bis(2-phenylmethoxyethyl)piperazine (PubChem CID 2973061) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1,4-bis(2-phenylmethoxyethyl)piperazine.

Molecular Properties

Compound Name1,4-bis(2-phenylmethoxyethyl)piperazine
PubChem CID2973061
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1,4-bis(2-phenylmethoxyethyl)piperazine
SMILESc1ccc(COCCN2CCN(CCOCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N2O2/c1-3-7-21(8-4-1)19-25-17-15-23-11-13-24(14-12-23)16-18-26-20-22-9-5-2-6-10-22/h1-10H,11-20H2
InChIKeyJQQBBCXFNAHTTD-UHFFFAOYSA-N
XLogP3.04
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
bis(3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid);hydrate
CID 156599366
8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 130536954
2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 157014112
4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide
CID 24728036
6-(2-phenylmethoxyethyl)-2-oxa-6-azaspiro[3.3]heptane
CID 170714850
1-[2-[[3-[1-[3-[2-(aziridin-1-yl)ethoxymethyl]phenyl]ethyl]phenyl]methoxy]ethyl]aziridine
CID 101370811
1-[2-[(3-phenoxyphenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 67898556
1-[3-(3-chlorophenyl)propyl]-4-[2-[(4-phenoxyphenyl)methoxy]ethyl]piperazine
CID 10096015
1-(3-methyl-4-pyridinyl)-4-(2-phenylmethoxyethyl)-1,4-diazepane
CID 134699200

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-phenylmethoxyethyl)piperazine?
The IUPAC name of 1,4-bis(2-phenylmethoxyethyl)piperazine (CID 2973061) is 1,4-bis(2-phenylmethoxyethyl)piperazine.
What is the SMILES notation for 1,4-bis(2-phenylmethoxyethyl)piperazine?
The canonical SMILES for 1,4-bis(2-phenylmethoxyethyl)piperazine is c1ccc(COCCN2CCN(CCOCc3ccccc3)CC2)cc1.
What is the InChIKey of 1,4-bis(2-phenylmethoxyethyl)piperazine?
The InChIKey is JQQBBCXFNAHTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-3-7-21(8-4-1)19-25-17-15-23-11-13-24(14-12-23)16-18-26-20-22-9-5-2-6-10-22/h1-10H,11-20H2.
What are the key properties of 1,4-bis(2-phenylmethoxyethyl)piperazine?
1,4-bis(2-phenylmethoxyethyl)piperazine has a molecular weight of 354.49 g/mol, XLogP of 3.04, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-phenylmethoxyethyl)piperazine is sourced from PubChem (CID 2973061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).