2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine

C15H21FN2O — CID 102879475

IUPAC2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCNCC2C2CC2)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-19-13-5-4-12(14(16)8-13)10-18-7-6-17-9-15(18)11-2-3-11/h4-5,8,11,15,17H,2-3,6-7,9-10H2,1H3
InChIKeyIYFFRGCWPPLEOT-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.02
Rot. Bonds4

About 2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine

2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine (PubChem CID 102879475) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine
PubChem CID102879475
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCNCC2C2CC2)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-19-13-5-4-12(14(16)8-13)10-18-7-6-17-9-15(18)11-2-3-11/h4-5,8,11,15,17H,2-3,6-7,9-10H2,1H3
InChIKeyIYFFRGCWPPLEOT-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]piperazine
CID 64833733
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
CID 102879474
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 102879490
1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide
CID 102877782
1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide
CID 102877786
2-cyclopropyl-1-[(4-fluorophenyl)methyl]piperazine
CID 64833163
1-[(2,5-dimethoxyphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678003
1-[(3-chloro-4-fluorophenyl)methyl]-2-cyclopropylpiperazine
CID 103041760
1-[(2-fluoro-4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 102877727
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 102877734
(2S)-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 82713388
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82981783

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine (CID 102879475) is 2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine is COc1ccc(CN2CCNCC2C2CC2)c(F)c1.
What is the InChIKey of 2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine?
The InChIKey is IYFFRGCWPPLEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-19-13-5-4-12(14(16)8-13)10-18-7-6-17-9-15(18)11-2-3-11/h4-5,8,11,15,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of 2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine?
2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine has a molecular weight of 264.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 102879475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).