[4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate

C14H19FN2O2 — CID 174462251

IUPAC[4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate
SMILESCC(=O)OCC1CN(Cc2ccc(F)cc2)CCN1
InChIInChI=1S/C14H19FN2O2/c1-11(18)19-10-14-9-17(7-6-16-14)8-12-2-4-13(15)5-3-12/h2-5,14,16H,6-10H2,1H3
InChIKeyPUBPPWWEGVTEEP-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.16
Rot. Bonds4

About [4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate

[4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate (PubChem CID 174462251) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate
PubChem CID174462251
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name[4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate
SMILESCC(=O)OCC1CN(Cc2ccc(F)cc2)CCN1
InChIInChI=1S/C14H19FN2O2/c1-11(18)19-10-14-9-17(7-6-16-14)8-12-2-4-13(15)5-3-12/h2-5,14,16H,6-10H2,1H3
InChIKeyPUBPPWWEGVTEEP-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
CID 18703475
3-ethyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 64870904
methyl 4-[(3-ethylpiperazin-1-yl)methyl]benzoate
CID 45072914
(3R)-1-[(4-fluorophenyl)methyl]-3-iodopiperazine
CID 89108176
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83986150
1-[(2S)-4-[(4-fluorophenyl)methyl]-2-(methoxymethyl)piperazin-1-yl]ethanone
CID 141137845
1-benzyl-3-(phenylmethoxymethyl)piperazine
CID 53395029
4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414066
3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 175156494
1-[(2S)-4-benzylpiperazin-2-yl]propan-2-one;tert-butyl formate
CID 174536749
(3R)-1-benzyl-3-ethylpiperazine
CID 45356982
[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate?
The IUPAC name of [4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate (CID 174462251) is [4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate is CC(=O)OCC1CN(Cc2ccc(F)cc2)CCN1.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate?
The InChIKey is PUBPPWWEGVTEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-11(18)19-10-14-9-17(7-6-16-14)8-12-2-4-13(15)5-3-12/h2-5,14,16H,6-10H2,1H3.
What are the key properties of [4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate?
[4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate has a molecular weight of 266.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]piperazin-2-yl]methyl acetate is sourced from PubChem (CID 174462251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).