1-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine

C15H21N3 — CID 171723512

IUPAC1-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine
SMILESC#Cc1cc(C(C)C)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C15H21N3/c1-5-14-10-13(12(2)3)11-15(16-14)18-8-6-17(4)7-9-18/h1,10-12H,6-9H2,2-4H3
InChIKeyKWVUGQYJZBRZCV-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.94
Rot. Bonds2

About 1-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine

1-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine (PubChem CID 171723512) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine
PubChem CID171723512
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine
SMILESC#Cc1cc(C(C)C)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C15H21N3/c1-5-14-10-13(12(2)3)11-15(16-14)18-8-6-17(4)7-9-18/h1,10-12H,6-9H2,2-4H3
InChIKeyKWVUGQYJZBRZCV-UHFFFAOYSA-N
XLogP1.94
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine
CID 171723333
2-methyl-6-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 99968449
4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112936303
2-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122340964
2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 54585780
6-(4-methylpiperazin-1-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 54587791
4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine
CID 53233904
4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913833
4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine
CID 24797695
3-methyl-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 70703521
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868556

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine?
The IUPAC name of 1-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine (CID 171723512) is 1-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine.
What is the SMILES notation for 1-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine?
The canonical SMILES for 1-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine is C#Cc1cc(C(C)C)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 1-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine?
The InChIKey is KWVUGQYJZBRZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-14-10-13(12(2)3)11-15(16-14)18-8-6-17(4)7-9-18/h1,10-12H,6-9H2,2-4H3.
What are the key properties of 1-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine?
1-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine has a molecular weight of 243.35 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine is sourced from PubChem (CID 171723512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).