(3R)-1-benzyl-3-methylpiperazine

C12H18N2 — CID 6923226

IUPAC(3R)-1-benzyl-3-methylpiperazine
SMILESC[C@@H]1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C12H18N2/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-/m1/s1
InChIKeyQOFUDSPYJDXBOF-LLVKDONJSA-N
MW190.29 g/mol
LogP1.48
Rot. Bonds2

About (3R)-1-benzyl-3-methylpiperazine

(3R)-1-benzyl-3-methylpiperazine (PubChem CID 6923226) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3R)-1-benzyl-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-benzyl-3-methylpiperazine
PubChem CID6923226
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3R)-1-benzyl-3-methylpiperazine
SMILESC[C@@H]1CN(Cc2ccccc2)CCN1
InChIInChI=1S/C12H18N2/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-/m1/s1
InChIKeyQOFUDSPYJDXBOF-LLVKDONJSA-N
XLogP1.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclizine
CID 6726
Plerixafor
CID 65015
N-Methylbenzylamine
CID 7669
N-Benzylphenethylamine
CID 65055
1-Benzylpiperazine
CID 75994
N-Ethylamphetamine
CID 9982
Cyclizine Hydrochloride
CID 6420019
N-ethyl-1-phenylcyclohexanamine
CID 16622
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
Benzhydrylpiperazine
CID 70048
Benzathine
CID 8793
1,4-Dibenzylpiperazine
CID 200601

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-methylpiperazine?
The IUPAC name of (3R)-1-benzyl-3-methylpiperazine (CID 6923226) is (3R)-1-benzyl-3-methylpiperazine.
What is the SMILES notation for (3R)-1-benzyl-3-methylpiperazine?
The canonical SMILES for (3R)-1-benzyl-3-methylpiperazine is C[C@@H]1CN(Cc2ccccc2)CCN1.
What is the InChIKey of (3R)-1-benzyl-3-methylpiperazine?
The InChIKey is QOFUDSPYJDXBOF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-methylpiperazine?
(3R)-1-benzyl-3-methylpiperazine has a molecular weight of 190.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-methylpiperazine is sourced from PubChem (CID 6923226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).