(3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine

C19H24N2O — CID 10803904

IUPAC(3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine
SMILESc1ccc(COC[C@H]2CN(Cc3ccccc3)CCN2)cc1
InChIInChI=1S/C19H24N2O/c1-3-7-17(8-4-1)13-21-12-11-20-19(14-21)16-22-15-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-/m1/s1
InChIKeyRDGPQHCJHZWORQ-LJQANCHMSA-N
MW296.41 g/mol
LogP2.68
Rot. Bonds6

About (3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine

(3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine (PubChem CID 10803904) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine.

Molecular Properties

Compound Name(3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine
PubChem CID10803904
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine
SMILESc1ccc(COC[C@H]2CN(Cc3ccccc3)CCN2)cc1
InChIInChI=1S/C19H24N2O/c1-3-7-17(8-4-1)13-21-12-11-20-19(14-21)16-22-15-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-/m1/s1
InChIKeyRDGPQHCJHZWORQ-LJQANCHMSA-N
XLogP2.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 132846
CID 132846
CID 11957600
CID 11957600
CID 53868701
CID 53868701
CID 648525
CID 648525
CID 10693845
CID 10693845
CID 24825320
CID 24825320
CID 24825321
CID 24825321
CID 44331794
CID 44331794
CID 44338530
CID 44338530
CID 44346206
CID 44346206
CID 44358516
CID 44358516
CID 44358612
CID 44358612

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine?
The IUPAC name of (3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine (CID 10803904) is (3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine.
What is the SMILES notation for (3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine?
The canonical SMILES for (3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine is c1ccc(COC[C@H]2CN(Cc3ccccc3)CCN2)cc1.
What is the InChIKey of (3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine?
The InChIKey is RDGPQHCJHZWORQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-7-17(8-4-1)13-21-12-11-20-19(14-21)16-22-15-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine?
(3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine has a molecular weight of 296.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-(phenylmethoxymethyl)piperazine is sourced from PubChem (CID 10803904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).