(2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine

C19H23FN2 — CID 71623514

IUPAC(2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine
SMILESC[C@@H]1CN(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)CN1
InChIInChI=1S/C19H23FN2/c1-15-13-22(14-17-7-9-18(20)10-8-17)19(12-21-15)11-16-5-3-2-4-6-16/h2-10,15,19,21H,11-14H2,1H3/t15-,19-/m1/s1
InChIKeyMNBKMUORCGGRKI-DNVCBOLYSA-N
MW298.41 g/mol
LogP3.23
Rot. Bonds4

About (2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine

(2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine (PubChem CID 71623514) has the molecular formula C19H23FN2 and a molecular weight of 298.41 g/mol. Its IUPAC name is (2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine.

Molecular Properties

Compound Name(2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine
PubChem CID71623514
Molecular FormulaC19H23FN2
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name(2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine
SMILESC[C@@H]1CN(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)CN1
InChIInChI=1S/C19H23FN2/c1-15-13-22(14-17-7-9-18(20)10-8-17)19(12-21-15)11-16-5-3-2-4-6-16/h2-10,15,19,21H,11-14H2,1H3/t15-,19-/m1/s1
InChIKeyMNBKMUORCGGRKI-DNVCBOLYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine?
The IUPAC name of (2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine (CID 71623514) is (2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine.
What is the SMILES notation for (2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine?
The canonical SMILES for (2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine is C[C@@H]1CN(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)CN1.
What is the InChIKey of (2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine?
The InChIKey is MNBKMUORCGGRKI-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H23FN2/c1-15-13-22(14-17-7-9-18(20)10-8-17)19(12-21-15)11-16-5-3-2-4-6-16/h2-10,15,19,21H,11-14H2,1H3/t15-,19-/m1/s1.
What are the key properties of (2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine?
(2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine has a molecular weight of 298.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperazine is sourced from PubChem (CID 71623514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).