(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine

C19H23FN2 — CID 57436101

IUPAC(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
SMILESFC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H23FN2/c20-13-19-16-21(14-17-7-3-1-4-8-17)11-12-22(19)15-18-9-5-2-6-10-18/h1-10,19H,11-16H2/t19-/m0/s1
InChIKeySDEMZAXQOIWPPI-IBGZPJMESA-N
MW298.41 g/mol
LogP3.34
Rot. Bonds5

About (2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine

(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine (PubChem CID 57436101) has the molecular formula C19H23FN2 and a molecular weight of 298.41 g/mol. Its IUPAC name is (2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine.

Molecular Properties

Compound Name(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
PubChem CID57436101
Molecular FormulaC19H23FN2
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
SMILESFC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
InChIInChI=1S/C19H23FN2/c20-13-19-16-21(14-17-7-3-1-4-8-17)11-12-22(19)15-18-9-5-2-6-10-18/h1-10,19H,11-16H2/t19-/m0/s1
InChIKeySDEMZAXQOIWPPI-IBGZPJMESA-N
XLogP3.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol
CID 170598960
2-(1,4-dibenzylpiperazin-2-yl)acetaldehyde
CID 22709781
(2R)-1-[(2R)-1,4-dibenzylpiperazin-2-yl]propan-2-ol
CID 100942318
2-[(2S)-1,4-dibenzylpiperazin-2-yl]-1-phenylethanol
CID 58860688
(2S)-1,4-dibenzyl-2-(3-methoxyprop-2-enyl)piperazine
CID 69210439
methyl 2-(1,4-dibenzylpiperazin-2-yl)acetate
CID 22710010
(2R)-1,4-dibenzylpiperazine-2-carbaldehyde
CID 124566770
[(2S)-1-amino-4-benzylpiperazin-2-yl]methanol
CID 71157233
1,4-dibenzyl-2-(2-methoxyethoxymethoxymethyl)piperazine
CID 69186002
2-[(2S)-1-benzyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 92629095
1,4-dibenzyl-2-(hexoxymethyl)piperazine
CID 11303550

Frequently Asked Questions

What is the IUPAC name of (2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine?
The IUPAC name of (2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine (CID 57436101) is (2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine.
What is the SMILES notation for (2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine?
The canonical SMILES for (2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine is FC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1.
What is the InChIKey of (2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine?
The InChIKey is SDEMZAXQOIWPPI-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23FN2/c20-13-19-16-21(14-17-7-3-1-4-8-17)11-12-22(19)15-18-9-5-2-6-10-18/h1-10,19H,11-16H2/t19-/m0/s1.
What are the key properties of (2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine?
(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine has a molecular weight of 298.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine is sourced from PubChem (CID 57436101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).