1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine

C13H21N3 — CID 130211179

IUPAC1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine
SMILESCC(C)c1cccnc1N1CCN(C)CC1
InChIInChI=1S/C13H21N3/c1-11(2)12-5-4-6-14-13(12)16-9-7-15(3)8-10-16/h4-6,11H,7-10H2,1-3H3
InChIKeyZASBDTZXIREVQG-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.96
Rot. Bonds2

About 1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine

1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine (PubChem CID 130211179) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine
PubChem CID130211179
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine
SMILESCC(C)c1cccnc1N1CCN(C)CC1
InChIInChI=1S/C13H21N3/c1-11(2)12-5-4-6-14-13(12)16-9-7-15(3)8-10-16/h4-6,11H,7-10H2,1-3H3
InChIKeyZASBDTZXIREVQG-UHFFFAOYSA-N
XLogP1.96
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine?
The IUPAC name of 1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine (CID 130211179) is 1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine?
The canonical SMILES for 1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine is CC(C)c1cccnc1N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine?
The InChIKey is ZASBDTZXIREVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11(2)12-5-4-6-14-13(12)16-9-7-15(3)8-10-16/h4-6,11H,7-10H2,1-3H3.
What are the key properties of 1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine?
1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine has a molecular weight of 219.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-propan-2-yl-2-pyridinyl)piperazine is sourced from PubChem (CID 130211179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).