[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate

C20H24FN3O2 — CID 25120701

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
SMILESNC(=O)OC(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H24FN3O2/c21-17-6-8-18(9-7-17)24-14-12-23(13-15-24)11-10-19(26-20(22)25)16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H2,22,25)
InChIKeyLAWPPIQNECCPAI-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.17
Rot. Bonds6

About [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate

[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate (PubChem CID 25120701) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
PubChem CID25120701
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
SMILESNC(=O)OC(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H24FN3O2/c21-17-6-8-18(9-7-17)24-14-12-23(13-15-24)11-10-19(26-20(22)25)16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H2,22,25)
InChIKeyLAWPPIQNECCPAI-UHFFFAOYSA-N
XLogP3.17
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate (CID 25120701) is [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate is NC(=O)OC(CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
The InChIKey is LAWPPIQNECCPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-17-6-8-18(9-7-17)24-14-12-23(13-15-24)11-10-19(26-20(22)25)16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H2,22,25).
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate?
[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate has a molecular weight of 357.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate is sourced from PubChem (CID 25120701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).