1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine

C16H23N3 — CID 171723333

IUPAC1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine
SMILESC#Cc1cc(C(C)C)cc(N2CCN(CC)CC2)n1
InChIInChI=1S/C16H23N3/c1-5-15-11-14(13(3)4)12-16(17-15)19-9-7-18(6-2)8-10-19/h1,11-13H,6-10H2,2-4H3
InChIKeyFPEOCCFGUPJPQP-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.33
Rot. Bonds3

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

1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine (PubChem CID 171723333) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine
PubChem CID171723333
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine
SMILESC#Cc1cc(C(C)C)cc(N2CCN(CC)CC2)n1
InChIInChI=1S/C16H23N3/c1-5-15-11-14(13(3)4)12-16(17-15)19-9-7-18(6-2)8-10-19/h1,11-13H,6-10H2,2-4H3
InChIKeyFPEOCCFGUPJPQP-UHFFFAOYSA-N
XLogP2.33
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.33
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-(6-ethynyl-4-propan-2-yl-2-pyridinyl)-4-methylpiperazine
CID 171723512
1-ethyl-4-(5-propan-2-yl-3-pyridinyl)piperazine
CID 58563451
4-[[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112914293
2-(4-ethylpiperazin-1-yl)-6-propan-2-ylpyrimidine-4-carbonitrile
CID 39360440
2-(4-ethylpiperazin-1-yl)-6-[(4-propan-2-ylphenyl)sulfonylamino]quinoline-4-carboxylic acid
CID 50772996
4-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112870818
6-(4-ethylpiperazin-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360588
4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine
CID 112936435
6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 112870948
2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934083
6-(4-ethylpiperazin-1-yl)-2-methyl-N,N-dipropylpyrimidin-4-amine
CID 112870879
ethyl 4-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112870858

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine?
The IUPAC name of 1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine (CID 171723333) is 1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine?
The canonical SMILES for 1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine is C#Cc1cc(C(C)C)cc(N2CCN(CC)CC2)n1.
What is the InChIKey of 1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine?
The InChIKey is FPEOCCFGUPJPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-15-11-14(13(3)4)12-16(17-15)19-9-7-18(6-2)8-10-19/h1,11-13H,6-10H2,2-4H3.
What are the key properties of 1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine?
1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine has a molecular weight of 257.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(6-ethynyl-4-propan-2-yl-2-pyridinyl)piperazine is sourced from PubChem (CID 171723333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).