5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine

C16H27N3 — CID 64952069

IUPAC5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine
SMILESCCC(C)C1CN(c2cccnc2)C(C(C)C)CN1
InChIInChI=1S/C16H27N3/c1-5-13(4)15-11-19(14-7-6-8-17-9-14)16(10-18-15)12(2)3/h6-9,12-13,15-16,18H,5,10-11H2,1-4H3
InChIKeyJZPXQLLGUIKZPS-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.93
Rot. Bonds4

About 5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine

5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine (PubChem CID 64952069) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine
PubChem CID64952069
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine
SMILESCCC(C)C1CN(c2cccnc2)C(C(C)C)CN1
InChIInChI=1S/C16H27N3/c1-5-13(4)15-11-19(14-7-6-8-17-9-14)16(10-18-15)12(2)3/h6-9,12-13,15-16,18H,5,10-11H2,1-4H3
InChIKeyJZPXQLLGUIKZPS-UHFFFAOYSA-N
XLogP2.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-di(propan-2-yl)-1-pyridin-3-ylpiperazine
CID 64952663
5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine
CID 64936927
5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine
CID 64939227
2-phenyl-5-propan-2-yl-1-pyridin-3-ylpiperazine
CID 64952268
5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64850164
2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine
CID 64937734
5-butan-2-yl-2-methyl-1-(5-methyl-3-pyridinyl)piperazine
CID 107586926
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168
5-ethyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930277
1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952074
5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine
CID 64937010
2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,3-oxazole
CID 106389954

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine?
The IUPAC name of 5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine (CID 64952069) is 5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine.
What is the SMILES notation for 5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine?
The canonical SMILES for 5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine is CCC(C)C1CN(c2cccnc2)C(C(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine?
The InChIKey is JZPXQLLGUIKZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-13(4)15-11-19(14-7-6-8-17-9-14)16(10-18-15)12(2)3/h6-9,12-13,15-16,18H,5,10-11H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine?
5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine has a molecular weight of 261.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine is sourced from PubChem (CID 64952069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).