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

C13H20N2 — CID 95243884

IUPAC(3S)-3-methyl-1-(2-phenylethyl)piperazine
SMILESC[C@H]1CN(CCc2ccccc2)CCN1
InChIInChI=1S/C13H20N2/c1-12-11-15(10-8-14-12)9-7-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3/t12-/m0/s1
InChIKeyIXABROHZHRSXDI-LBPRGKRZSA-N
MW204.32 g/mol
LogP1.52
Rot. Bonds3

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

(3S)-3-methyl-1-(2-phenylethyl)piperazine (PubChem CID 95243884) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3S)-3-methyl-1-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-(2-phenylethyl)piperazine
PubChem CID95243884
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3S)-3-methyl-1-(2-phenylethyl)piperazine
SMILESC[C@H]1CN(CCc2ccccc2)CCN1
InChIInChI=1S/C13H20N2/c1-12-11-15(10-8-14-12)9-7-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3/t12-/m0/s1
InChIKeyIXABROHZHRSXDI-LBPRGKRZSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(2-phenylethyl)piperazine?
The IUPAC name of (3S)-3-methyl-1-(2-phenylethyl)piperazine (CID 95243884) is (3S)-3-methyl-1-(2-phenylethyl)piperazine.
What is the SMILES notation for (3S)-3-methyl-1-(2-phenylethyl)piperazine?
The canonical SMILES for (3S)-3-methyl-1-(2-phenylethyl)piperazine is C[C@H]1CN(CCc2ccccc2)CCN1.
What is the InChIKey of (3S)-3-methyl-1-(2-phenylethyl)piperazine?
The InChIKey is IXABROHZHRSXDI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2/c1-12-11-15(10-8-14-12)9-7-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(2-phenylethyl)piperazine?
(3S)-3-methyl-1-(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 (3S)-3-methyl-1-(2-phenylethyl)piperazine is sourced from PubChem (CID 95243884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).