2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine

C14H23N3 — CID 64930499

IUPAC2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine
SMILESCC(C)C1CNCCN1C(C)c1ccncc1
InChIInChI=1S/C14H23N3/c1-11(2)14-10-16-8-9-17(14)12(3)13-4-6-15-7-5-13/h4-7,11-12,14,16H,8-10H2,1-3H3
InChIKeyZTJXETTZASNXDK-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.07
Rot. Bonds3

About 2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine

2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine (PubChem CID 64930499) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine.

Molecular Properties

Compound Name2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine
PubChem CID64930499
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine
SMILESCC(C)C1CNCCN1C(C)c1ccncc1
InChIInChI=1S/C14H23N3/c1-11(2)14-10-16-8-9-17(14)12(3)13-4-6-15-7-5-13/h4-7,11-12,14,16H,8-10H2,1-3H3
InChIKeyZTJXETTZASNXDK-UHFFFAOYSA-N
XLogP2.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
1-pentan-3-yl-2-propan-2-ylpiperazine
CID 64938438
2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine
CID 64936374
2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole
CID 64932330
1-(3-ethylpentan-2-yl)-2-propan-2-ylpiperazine
CID 64930343
[4-methyl-1-(1-pyridin-4-ylethyl)piperidin-2-yl]methanamine
CID 103440649
2-[(1S)-1-[(2S)-2-methylpiperazin-1-yl]ethyl]pyrazine
CID 86329920
4-(2-methyl-1-pyrrolidin-3-ylpropyl)pyridine
CID 83908704
2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone
CID 83980011
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
(3S)-1-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124570764
5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64933586

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine?
The IUPAC name of 2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine (CID 64930499) is 2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine.
What is the SMILES notation for 2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine?
The canonical SMILES for 2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine is CC(C)C1CNCCN1C(C)c1ccncc1.
What is the InChIKey of 2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine?
The InChIKey is ZTJXETTZASNXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)14-10-16-8-9-17(14)12(3)13-4-6-15-7-5-13/h4-7,11-12,14,16H,8-10H2,1-3H3.
What are the key properties of 2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine?
2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine has a molecular weight of 233.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine is sourced from PubChem (CID 64930499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).