1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine

C20H25FN2 — CID 7026448

IUPAC1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine
SMILESFc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1
InChIInChI=1S/C20H25FN2/c21-20-10-4-8-19(16-20)17-23-14-12-22(13-15-23)11-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16H,5,9,11-15,17H2
InChIKeyBFNLXKUMFCFPFW-UHFFFAOYSA-N
MW312.43 g/mol
LogP3.58
Rot. Bonds6

About 1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine

1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine (PubChem CID 7026448) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine
PubChem CID7026448
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC Name1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine
SMILESFc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1
InChIInChI=1S/C20H25FN2/c21-20-10-4-8-19(16-20)17-23-14-12-22(13-15-23)11-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16H,5,9,11-15,17H2
InChIKeyBFNLXKUMFCFPFW-UHFFFAOYSA-N
XLogP3.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine (CID 7026448) is 1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine is Fc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine?
The InChIKey is BFNLXKUMFCFPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2/c21-20-10-4-8-19(16-20)17-23-14-12-22(13-15-23)11-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16H,5,9,11-15,17H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine?
1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine has a molecular weight of 312.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-(3-phenylpropyl)piperazine is sourced from PubChem (CID 7026448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).