1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine

C12H21N3 — CID 175868062

IUPAC1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine
SMILESCC1=CC=C(C)N(C)C1N1CCNCC1
InChIInChI=1S/C12H21N3/c1-10-4-5-11(2)14(3)12(10)15-8-6-13-7-9-15/h4-5,12-13H,6-9H2,1-3H3
InChIKeyZLTNVUXPKHIBHM-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.01
Rot. Bonds1

About 1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine

1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine (PubChem CID 175868062) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine.

Molecular Properties

Compound Name1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine
PubChem CID175868062
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine
SMILESCC1=CC=C(C)N(C)C1N1CCNCC1
InChIInChI=1S/C12H21N3/c1-10-4-5-11(2)14(3)12(10)15-8-6-13-7-9-15/h4-5,12-13H,6-9H2,1-3H3
InChIKeyZLTNVUXPKHIBHM-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine?
The IUPAC name of 1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine (CID 175868062) is 1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine.
What is the SMILES notation for 1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine?
The canonical SMILES for 1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine is CC1=CC=C(C)N(C)C1N1CCNCC1.
What is the InChIKey of 1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine?
The InChIKey is ZLTNVUXPKHIBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-4-5-11(2)14(3)12(10)15-8-6-13-7-9-15/h4-5,12-13H,6-9H2,1-3H3.
What are the key properties of 1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine?
1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine has a molecular weight of 207.32 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,6-trimethyl-2H-pyridin-2-yl)piperazine is sourced from PubChem (CID 175868062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).