(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine

C18H22N2O — CID 99906556

IUPAC(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
SMILESCOc1ccc([C@@H]2CNCCN2Cc2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-21-17-9-7-16(8-10-17)18-13-19-11-12-20(18)14-15-5-3-2-4-6-15/h2-10,18-19H,11-14H2,1H3/t18-/m0/s1
InChIKeyORSMRIFEAKEWNG-SFHVURJKSA-N
MW282.39 g/mol
LogP2.84
Rot. Bonds4

About (2R)-1-benzyl-2-(4-methoxyphenyl)piperazine

(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine (PubChem CID 99906556) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2R)-1-benzyl-2-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
PubChem CID99906556
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
SMILESCOc1ccc([C@@H]2CNCCN2Cc2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-21-17-9-7-16(8-10-17)18-13-19-11-12-20(18)14-15-5-3-2-4-6-15/h2-10,18-19H,11-14H2,1H3/t18-/m0/s1
InChIKeyORSMRIFEAKEWNG-SFHVURJKSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-benzyl-2-(4-chlorophenyl)piperazine
CID 22074529
2-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]piperazine
CID 21331832
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 110109340
1-benzyl-2-(4-methoxyphenyl)piperidin-4-ol;hydrochloride
CID 158556619
4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 125002367
[1-benzyl-2-(4-methoxyphenyl)piperidin-4-yl]methanol
CID 154394421
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 125001743
2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 175656523
1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175659582
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-(4-methoxyphenyl)piperazine?
The IUPAC name of (2R)-1-benzyl-2-(4-methoxyphenyl)piperazine (CID 99906556) is (2R)-1-benzyl-2-(4-methoxyphenyl)piperazine.
What is the SMILES notation for (2R)-1-benzyl-2-(4-methoxyphenyl)piperazine?
The canonical SMILES for (2R)-1-benzyl-2-(4-methoxyphenyl)piperazine is COc1ccc([C@@H]2CNCCN2Cc2ccccc2)cc1.
What is the InChIKey of (2R)-1-benzyl-2-(4-methoxyphenyl)piperazine?
The InChIKey is ORSMRIFEAKEWNG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-17-9-7-16(8-10-17)18-13-19-11-12-20(18)14-15-5-3-2-4-6-15/h2-10,18-19H,11-14H2,1H3/t18-/m0/s1.
What are the key properties of (2R)-1-benzyl-2-(4-methoxyphenyl)piperazine?
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine has a molecular weight of 282.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 99906556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).