2-benzyl-1-(3-fluoropropyl)piperazine

C14H21FN2 — CID 81114655

IUPAC2-benzyl-1-(3-fluoropropyl)piperazine
SMILESFCCCN1CCNCC1Cc1ccccc1
InChIInChI=1S/C14H21FN2/c15-7-4-9-17-10-8-16-12-14(17)11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKeyXDQUJDDUSYOPLN-UHFFFAOYSA-N
MW236.33 g/mol
LogP1.86
Rot. Bonds5

About 2-benzyl-1-(3-fluoropropyl)piperazine

2-benzyl-1-(3-fluoropropyl)piperazine (PubChem CID 81114655) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-benzyl-1-(3-fluoropropyl)piperazine.

Molecular Properties

Compound Name2-benzyl-1-(3-fluoropropyl)piperazine
PubChem CID81114655
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-benzyl-1-(3-fluoropropyl)piperazine
SMILESFCCCN1CCNCC1Cc1ccccc1
InChIInChI=1S/C14H21FN2/c15-7-4-9-17-10-8-16-12-14(17)11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKeyXDQUJDDUSYOPLN-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2-benzylpiperazin-1-yl)ethyl]morpholine
CID 82250577
2-benzyl-1-(2-methylsulfonylethyl)piperazine
CID 64846831
2-benzyl-1-(2-ethoxyethyl)piperazine
CID 64845833
1-(3-fluoropropyl)-2-phenylpiperazine
CID 81114300
2-benzyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64846826
2-benzyl-1-(2-phenylethyl)-1,4-diazepane
CID 82251349
2-benzyl-1-[(E)-3-chloroprop-2-enyl]piperazine
CID 107901402
4-[[(2S)-2-benzylpiperazin-1-yl]methyl]benzoic acid
CID 45072762
4-[(2-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414062
2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 95169829
1,5-bis[2-[(4-phenylphenyl)methyl]piperazin-1-yl]pentan-3-one
CID 174487424
4-[4-(2-benzylpiperazin-1-yl)butyl]-3-hydroxypyridine-2-carboxylic acid
CID 175919223

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3-fluoropropyl)piperazine?
The IUPAC name of 2-benzyl-1-(3-fluoropropyl)piperazine (CID 81114655) is 2-benzyl-1-(3-fluoropropyl)piperazine.
What is the SMILES notation for 2-benzyl-1-(3-fluoropropyl)piperazine?
The canonical SMILES for 2-benzyl-1-(3-fluoropropyl)piperazine is FCCCN1CCNCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-(3-fluoropropyl)piperazine?
The InChIKey is XDQUJDDUSYOPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-7-4-9-17-10-8-16-12-14(17)11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2.
What are the key properties of 2-benzyl-1-(3-fluoropropyl)piperazine?
2-benzyl-1-(3-fluoropropyl)piperazine has a molecular weight of 236.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(3-fluoropropyl)piperazine is sourced from PubChem (CID 81114655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).