1-methyl-3-(2-phenylethyl)piperazine

C13H20N2 — CID 82470032

IUPAC1-methyl-3-(2-phenylethyl)piperazine
SMILESCN1CCNC(CCc2ccccc2)C1
InChIInChI=1S/C13H20N2/c1-15-10-9-14-13(11-15)8-7-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyWYYAQXJTUKUNNV-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.52
Rot. Bonds3

About 1-methyl-3-(2-phenylethyl)piperazine

1-methyl-3-(2-phenylethyl)piperazine (PubChem CID 82470032) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-methyl-3-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-methyl-3-(2-phenylethyl)piperazine
PubChem CID82470032
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-methyl-3-(2-phenylethyl)piperazine
SMILESCN1CCNC(CCc2ccccc2)C1
InChIInChI=1S/C13H20N2/c1-15-10-9-14-13(11-15)8-7-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyWYYAQXJTUKUNNV-UHFFFAOYSA-N
XLogP1.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[2-(1H-pyrrol-3-yl)ethyl]piperazine
CID 116928299
1-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine
CID 59060023
2-[2-(4-methylpiperazin-2-yl)ethyl]-1,3-dihydroisoindole
CID 117029756
2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 115239483
2-(4-methylpiperazin-2-yl)-1-phenylethanone
CID 116919993
3-benzyl-1-(2-phenylethyl)piperazine
CID 64832904
(3S)-3-methyl-1-(2-phenylethyl)piperazine
CID 95243884
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
N-methyl-2-(4-methylpiperazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115239455
2-[2-(4-methylpiperazin-2-yl)ethyl]-3H-isoindol-1-one
CID 117030142
N,4-dimethyl-N-(2-phenylethyl)piperazine-2-carboxamide
CID 115178084
3-(4-methylpiperazin-2-yl)propanoic acid
CID 54495672

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-phenylethyl)piperazine?
The IUPAC name of 1-methyl-3-(2-phenylethyl)piperazine (CID 82470032) is 1-methyl-3-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-methyl-3-(2-phenylethyl)piperazine?
The canonical SMILES for 1-methyl-3-(2-phenylethyl)piperazine is CN1CCNC(CCc2ccccc2)C1.
What is the InChIKey of 1-methyl-3-(2-phenylethyl)piperazine?
The InChIKey is WYYAQXJTUKUNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-15-10-9-14-13(11-15)8-7-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3.
What are the key properties of 1-methyl-3-(2-phenylethyl)piperazine?
1-methyl-3-(2-phenylethyl)piperazine has a molecular weight of 204.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenylethyl)piperazine is sourced from PubChem (CID 82470032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).