5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine

C16H27N3 — CID 64847262

IUPAC5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC(C)C1CN(Cc2ccncc2)C(CC)CN1
InChIInChI=1S/C16H27N3/c1-4-13(3)16-12-19(15(5-2)10-18-16)11-14-6-8-17-9-7-14/h6-9,13,15-16,18H,4-5,10-12H2,1-3H3
InChIKeyLVTUUUIWJGYIGX-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.68
Rot. Bonds5

About 5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine

5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 64847262) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine
PubChem CID64847262
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC(C)C1CN(Cc2ccncc2)C(CC)CN1
InChIInChI=1S/C16H27N3/c1-4-13(3)16-12-19(15(5-2)10-18-16)11-14-6-8-17-9-7-14/h6-9,13,15-16,18H,4-5,10-12H2,1-3H3
InChIKeyLVTUUUIWJGYIGX-UHFFFAOYSA-N
XLogP2.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030
5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64850164
5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine
CID 64936261
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2-ethylpiperazine
CID 64850155
2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine
CID 64831744
5-butan-2-yl-1-[(4-iodophenyl)methyl]-2-propylpiperazine
CID 65490972
2-ethyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64832516
5-butan-2-yl-1-[(2-chloro-5-fluorophenyl)methyl]-2-ethylpiperazine
CID 102620685
3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64831721
5-butan-2-yl-2-ethyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64847451
5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64848063

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine (CID 64847262) is 5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine is CCC(C)C1CN(Cc2ccncc2)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is LVTUUUIWJGYIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-13(3)16-12-19(15(5-2)10-18-16)11-14-6-8-17-9-7-14/h6-9,13,15-16,18H,4-5,10-12H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine?
5-butan-2-yl-2-ethyl-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 261.41 g/mol, XLogP of 2.68, 5 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-ethyl-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 64847262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).