1-[(4-fluorophenyl)-phenylmethyl]-4-(2-propoxyethyl)piperazine

C22H29FN2O — CID 67474698

IUPAC1-[(4-fluorophenyl)-phenylmethyl]-4-(2-propoxyethyl)piperazine
SMILESCCCOCCN1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H29FN2O/c1-2-17-26-18-16-24-12-14-25(15-13-24)22(19-6-4-3-5-7-19)20-8-10-21(23)11-9-20/h3-11,22H,2,12-18H2,1H3
InChIKeyPCGWTYXOIHMKOO-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.96
Rot. Bonds8

About 1-[(4-fluorophenyl)-phenylmethyl]-4-(2-propoxyethyl)piperazine

1-[(4-fluorophenyl)-phenylmethyl]-4-(2-propoxyethyl)piperazine (PubChem CID 67474698) has the molecular formula C22H29FN2O and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-phenylmethyl]-4-(2-propoxyethyl)piperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-phenylmethyl]-4-(2-propoxyethyl)piperazine
PubChem CID67474698
Molecular FormulaC22H29FN2O
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC Name1-[(4-fluorophenyl)-phenylmethyl]-4-(2-propoxyethyl)piperazine
SMILESCCCOCCN1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H29FN2O/c1-2-17-26-18-16-24-12-14-25(15-13-24)22(19-6-4-3-5-7-19)20-8-10-21(23)11-9-20/h3-11,22H,2,12-18H2,1H3
InChIKeyPCGWTYXOIHMKOO-UHFFFAOYSA-N
XLogP3.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-phenylmethyl]-4-(2-propoxyethyl)piperazine?
The IUPAC name of 1-[(4-fluorophenyl)-phenylmethyl]-4-(2-propoxyethyl)piperazine (CID 67474698) is 1-[(4-fluorophenyl)-phenylmethyl]-4-(2-propoxyethyl)piperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)-phenylmethyl]-4-(2-propoxyethyl)piperazine?
The canonical SMILES for 1-[(4-fluorophenyl)-phenylmethyl]-4-(2-propoxyethyl)piperazine is CCCOCCN1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)-phenylmethyl]-4-(2-propoxyethyl)piperazine?
The InChIKey is PCGWTYXOIHMKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O/c1-2-17-26-18-16-24-12-14-25(15-13-24)22(19-6-4-3-5-7-19)20-8-10-21(23)11-9-20/h3-11,22H,2,12-18H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)-phenylmethyl]-4-(2-propoxyethyl)piperazine?
1-[(4-fluorophenyl)-phenylmethyl]-4-(2-propoxyethyl)piperazine has a molecular weight of 356.49 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-phenylmethyl]-4-(2-propoxyethyl)piperazine is sourced from PubChem (CID 67474698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).