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

C20H24FN3O3 — CID 67280973

IUPAC[1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate
SMILESNC(=O)OC(CCN1CCN(c2ccc(O)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O3/c21-16-3-1-15(2-4-16)19(27-20(22)26)9-10-23-11-13-24(14-12-23)17-5-7-18(25)8-6-17/h1-8,19,25H,9-14H2,(H2,22,26)
InChIKeyBTBQWSDNKCARCK-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.88
Rot. Bonds6

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

[1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate (PubChem CID 67280973) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate
PubChem CID67280973
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name[1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate
SMILESNC(=O)OC(CCN1CCN(c2ccc(O)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O3/c21-16-3-1-15(2-4-16)19(27-20(22)26)9-10-23-11-13-24(14-12-23)17-5-7-18(25)8-6-17/h1-8,19,25H,9-14H2,(H2,22,26)
InChIKeyBTBQWSDNKCARCK-UHFFFAOYSA-N
XLogP2.88
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67281832
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
[(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 68632305
[1-[4-(dimethylamino)phenyl]-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281574
[1-(4-tert-butylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl] carbamate
CID 67281866
4-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]benzoic acid
CID 22180536
[1-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281133
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 87012516
4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide
CID 30031547
(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 52946921
3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid
CID 134069455
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol
CID 54223521

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate?
The IUPAC name of [1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate (CID 67280973) is [1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate.
What is the SMILES notation for [1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate?
The canonical SMILES for [1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate is NC(=O)OC(CCN1CCN(c2ccc(O)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate?
The InChIKey is BTBQWSDNKCARCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c21-16-3-1-15(2-4-16)19(27-20(22)26)9-10-23-11-13-24(14-12-23)17-5-7-18(25)8-6-17/h1-8,19,25H,9-14H2,(H2,22,26).
What are the key properties of [1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate?
[1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate has a molecular weight of 373.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propyl] carbamate is sourced from PubChem (CID 67280973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).