(3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine

C11H17N3 — CID 94450647

IUPAC(3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine
SMILESCc1ccc(N2CCN[C@@H](C)C2)nc1
InChIInChI=1S/C11H17N3/c1-9-3-4-11(13-7-9)14-6-5-12-10(2)8-14/h3-4,7,10,12H,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeyQZLNNYLAJWKONP-JTQLQIEISA-N
MW191.28 g/mol
LogP1.19
Rot. Bonds1

About (3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine

(3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine (PubChem CID 94450647) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine
PubChem CID94450647
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine
SMILESCc1ccc(N2CCN[C@@H](C)C2)nc1
InChIInChI=1S/C11H17N3/c1-9-3-4-11(13-7-9)14-6-5-12-10(2)8-14/h3-4,7,10,12H,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeyQZLNNYLAJWKONP-JTQLQIEISA-N
XLogP1.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine?
The IUPAC name of (3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine (CID 94450647) is (3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for (3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine?
The canonical SMILES for (3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine is Cc1ccc(N2CCN[C@@H](C)C2)nc1.
What is the InChIKey of (3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine?
The InChIKey is QZLNNYLAJWKONP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3/c1-9-3-4-11(13-7-9)14-6-5-12-10(2)8-14/h3-4,7,10,12H,5-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine?
(3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine has a molecular weight of 191.28 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 94450647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).