(3S)-3-benzyl-1-methylpiperazine

C12H18N2 — CID 51669717

IUPAC(3S)-3-benzyl-1-methylpiperazine
SMILESCN1CCN[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C12H18N2/c1-14-8-7-13-12(10-14)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-/m0/s1
InChIKeyNJHPPXZJEYFKMD-LBPRGKRZSA-N
MW190.29 g/mol
LogP1.13
Rot. Bonds2

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

(3S)-3-benzyl-1-methylpiperazine (PubChem CID 51669717) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3S)-3-benzyl-1-methylpiperazine.

Molecular Properties

Compound Name(3S)-3-benzyl-1-methylpiperazine
PubChem CID51669717
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3S)-3-benzyl-1-methylpiperazine
SMILESCN1CCN[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C12H18N2/c1-14-8-7-13-12(10-14)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-/m0/s1
InChIKeyNJHPPXZJEYFKMD-LBPRGKRZSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-1-methylpiperazine?
The IUPAC name of (3S)-3-benzyl-1-methylpiperazine (CID 51669717) is (3S)-3-benzyl-1-methylpiperazine.
What is the SMILES notation for (3S)-3-benzyl-1-methylpiperazine?
The canonical SMILES for (3S)-3-benzyl-1-methylpiperazine is CN1CCN[C@@H](Cc2ccccc2)C1.
What is the InChIKey of (3S)-3-benzyl-1-methylpiperazine?
The InChIKey is NJHPPXZJEYFKMD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2/c1-14-8-7-13-12(10-14)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-benzyl-1-methylpiperazine?
(3S)-3-benzyl-1-methylpiperazine has a molecular weight of 190.29 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-1-methylpiperazine is sourced from PubChem (CID 51669717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).