(2S)-2-[4-(methoxymethyl)phenyl]piperazine

C12H18N2O — CID 67928117

IUPAC(2S)-2-[4-(methoxymethyl)phenyl]piperazine
SMILESCOCc1ccc([C@H]2CNCCN2)cc1
InChIInChI=1S/C12H18N2O/c1-15-9-10-2-4-11(5-3-10)12-8-13-6-7-14-12/h2-5,12-14H,6-9H2,1H3/t12-/m1/s1
InChIKeyLPXPHSDSAKBJLX-GFCCVEGCSA-N
MW206.29 g/mol
LogP1.07
Rot. Bonds3

About (2S)-2-[4-(methoxymethyl)phenyl]piperazine

(2S)-2-[4-(methoxymethyl)phenyl]piperazine (PubChem CID 67928117) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2S)-2-[4-(methoxymethyl)phenyl]piperazine.

Molecular Properties

Compound Name(2S)-2-[4-(methoxymethyl)phenyl]piperazine
PubChem CID67928117
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2S)-2-[4-(methoxymethyl)phenyl]piperazine
SMILESCOCc1ccc([C@H]2CNCCN2)cc1
InChIInChI=1S/C12H18N2O/c1-15-9-10-2-4-11(5-3-10)12-8-13-6-7-14-12/h2-5,12-14H,6-9H2,1H3/t12-/m1/s1
InChIKeyLPXPHSDSAKBJLX-GFCCVEGCSA-N
XLogP1.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[4-(methoxymethyl)phenyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(methoxymethyl)phenyl]piperazine?
The IUPAC name of (2S)-2-[4-(methoxymethyl)phenyl]piperazine (CID 67928117) is (2S)-2-[4-(methoxymethyl)phenyl]piperazine.
What is the SMILES notation for (2S)-2-[4-(methoxymethyl)phenyl]piperazine?
The canonical SMILES for (2S)-2-[4-(methoxymethyl)phenyl]piperazine is COCc1ccc([C@H]2CNCCN2)cc1.
What is the InChIKey of (2S)-2-[4-(methoxymethyl)phenyl]piperazine?
The InChIKey is LPXPHSDSAKBJLX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-9-10-2-4-11(5-3-10)12-8-13-6-7-14-12/h2-5,12-14H,6-9H2,1H3/t12-/m1/s1.
What are the key properties of (2S)-2-[4-(methoxymethyl)phenyl]piperazine?
(2S)-2-[4-(methoxymethyl)phenyl]piperazine has a molecular weight of 206.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(methoxymethyl)phenyl]piperazine is sourced from PubChem (CID 67928117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).