4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine

C15H23FN2O — CID 142810039

IUPAC4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)CC1.O=Cc1ccc(F)cc1
InChIInChI=1S/C8H18N2.C7H5FO/c1-8(2)10-6-4-9(3)5-7-10;8-7-3-1-6(5-9)2-4-7/h8H,4-7H2,1-3H3;1-5H
InChIKeySPFIMRJIIFECPD-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.28
Rot. Bonds2

About 4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine

4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine (PubChem CID 142810039) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine
PubChem CID142810039
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)CC1.O=Cc1ccc(F)cc1
InChIInChI=1S/C8H18N2.C7H5FO/c1-8(2)10-6-4-9(3)5-7-10;8-7-3-1-6(5-9)2-4-7/h8H,4-7H2,1-3H3;1-5H
InChIKeySPFIMRJIIFECPD-UHFFFAOYSA-N
XLogP2.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(4-propan-2-ylpiperazin-1-yl)benzaldehyde
CID 43585389
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
4-[4-(4-fluorophenyl)piperazin-1-yl]benzaldehyde
CID 28603665
1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
CID 174450752
formaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 157498732
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 43797171
1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylpiperazine
CID 162361422
sodium;4-fluorobenzaldehyde;methanesulfinate
CID 160964159
2-(4-fluorophenyl)-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 134506544
4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde
CID 87286041

Frequently Asked Questions

What is the IUPAC name of 4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine?
The IUPAC name of 4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine (CID 142810039) is 4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for 4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine is CC(C)N1CCN(C)CC1.O=Cc1ccc(F)cc1.
What is the InChIKey of 4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine?
The InChIKey is SPFIMRJIIFECPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C7H5FO/c1-8(2)10-6-4-9(3)5-7-10;8-7-3-1-6(5-9)2-4-7/h8H,4-7H2,1-3H3;1-5H.
What are the key properties of 4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine?
4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine has a molecular weight of 266.36 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobenzaldehyde;1-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 142810039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).