(2S,5S)-1,2-dimethyl-5-phenylpiperazine

C12H18N2 — CID 96624962

IUPAC(2S,5S)-1,2-dimethyl-5-phenylpiperazine
SMILESC[C@H]1CN[C@@H](c2ccccc2)CN1C
InChIInChI=1S/C12H18N2/c1-10-8-13-12(9-14(10)2)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyLIAMLQFQGPKCFQ-CMPLNLGQSA-N
MW190.29 g/mol
LogP1.65
Rot. Bonds1

About (2S,5S)-1,2-dimethyl-5-phenylpiperazine

(2S,5S)-1,2-dimethyl-5-phenylpiperazine (PubChem CID 96624962) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2S,5S)-1,2-dimethyl-5-phenylpiperazine.

Molecular Properties

Compound Name(2S,5S)-1,2-dimethyl-5-phenylpiperazine
PubChem CID96624962
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2S,5S)-1,2-dimethyl-5-phenylpiperazine
SMILESC[C@H]1CN[C@@H](c2ccccc2)CN1C
InChIInChI=1S/C12H18N2/c1-10-8-13-12(9-14(10)2)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyLIAMLQFQGPKCFQ-CMPLNLGQSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1,2-dimethyl-5-phenylpiperazine?
The IUPAC name of (2S,5S)-1,2-dimethyl-5-phenylpiperazine (CID 96624962) is (2S,5S)-1,2-dimethyl-5-phenylpiperazine.
What is the SMILES notation for (2S,5S)-1,2-dimethyl-5-phenylpiperazine?
The canonical SMILES for (2S,5S)-1,2-dimethyl-5-phenylpiperazine is C[C@H]1CN[C@@H](c2ccccc2)CN1C.
What is the InChIKey of (2S,5S)-1,2-dimethyl-5-phenylpiperazine?
The InChIKey is LIAMLQFQGPKCFQ-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-8-13-12(9-14(10)2)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of (2S,5S)-1,2-dimethyl-5-phenylpiperazine?
(2S,5S)-1,2-dimethyl-5-phenylpiperazine has a molecular weight of 190.29 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1,2-dimethyl-5-phenylpiperazine is sourced from PubChem (CID 96624962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).