(2S)-2-[2-(2-methylphenyl)ethyl]piperazine

C13H20N2 — CID 163935579

IUPAC(2S)-2-[2-(2-methylphenyl)ethyl]piperazine
SMILESCc1ccccc1CC[C@H]1CNCCN1
InChIInChI=1S/C13H20N2/c1-11-4-2-3-5-12(11)6-7-13-10-14-8-9-15-13/h2-5,13-15H,6-10H2,1H3/t13-/m0/s1
InChIKeyRMMSLVIOZMYRPZ-ZDUSSCGKSA-N
MW204.32 g/mol
LogP1.49
Rot. Bonds3

About (2S)-2-[2-(2-methylphenyl)ethyl]piperazine

(2S)-2-[2-(2-methylphenyl)ethyl]piperazine (PubChem CID 163935579) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2S)-2-[2-(2-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name(2S)-2-[2-(2-methylphenyl)ethyl]piperazine
PubChem CID163935579
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2S)-2-[2-(2-methylphenyl)ethyl]piperazine
SMILESCc1ccccc1CC[C@H]1CNCCN1
InChIInChI=1S/C13H20N2/c1-11-4-2-3-5-12(11)6-7-13-10-14-8-9-15-13/h2-5,13-15H,6-10H2,1H3/t13-/m0/s1
InChIKeyRMMSLVIOZMYRPZ-ZDUSSCGKSA-N
XLogP1.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[3-(2-chlorophenyl)propyl]piperazine
CID 142812493
(2S)-2-[2-(4-fluorophenyl)ethyl]piperazine
CID 69487151
2-[(2,5-dimethylphenyl)methyl]piperazine
CID 82282920
2-(1,4,7,10,13-pentazacyclopentadec-2-ylmethyl)phenol
CID 21338454
(2S)-2-[2-(3-chlorophenyl)ethyl]piperazine
CID 58860729
4-[3-(2-methylphenyl)propyl]piperidine
CID 54301052
2-(2-phenylsulfanylethyl)piperazine
CID 69215324
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
N-methyl-2-(2-methylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209429
N-methyl-N-[2-(2-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
CID 115239043
1-methyl-3-(piperazin-2-ylmethyl)indole
CID 84625891
2-(2-methylphenyl)piperazine;dihydrochloride
CID 70608733

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2-methylphenyl)ethyl]piperazine?
The IUPAC name of (2S)-2-[2-(2-methylphenyl)ethyl]piperazine (CID 163935579) is (2S)-2-[2-(2-methylphenyl)ethyl]piperazine.
What is the SMILES notation for (2S)-2-[2-(2-methylphenyl)ethyl]piperazine?
The canonical SMILES for (2S)-2-[2-(2-methylphenyl)ethyl]piperazine is Cc1ccccc1CC[C@H]1CNCCN1.
What is the InChIKey of (2S)-2-[2-(2-methylphenyl)ethyl]piperazine?
The InChIKey is RMMSLVIOZMYRPZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-4-2-3-5-12(11)6-7-13-10-14-8-9-15-13/h2-5,13-15H,6-10H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-[2-(2-methylphenyl)ethyl]piperazine?
(2S)-2-[2-(2-methylphenyl)ethyl]piperazine has a molecular weight of 204.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 163935579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).