1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine

C20H26N2O — CID 782983

IUPAC1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine
SMILESCCN1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C20H26N2O/c1-2-21-12-14-22(15-13-21)16-18-8-10-20(11-9-18)23-17-19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3
InChIKeyJLTXVLMENAZLNM-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.40
Rot. Bonds6

About 1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine

1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 782983) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine
PubChem CID782983
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine
SMILESCCN1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C20H26N2O/c1-2-21-12-14-22(15-13-21)16-18-8-10-20(11-9-18)23-17-19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3
InChIKeyJLTXVLMENAZLNM-UHFFFAOYSA-N
XLogP3.40
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine (CID 782983) is 1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine is CCN1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is JLTXVLMENAZLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-21-12-14-22(15-13-21)16-18-8-10-20(11-9-18)23-17-19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3.
What are the key properties of 1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine?
1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 310.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 782983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).