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

C17H29N3 — CID 64850164

IUPAC5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC(C)C1CN(Cc2ccncc2)C(C(C)C)CN1
InChIInChI=1S/C17H29N3/c1-5-14(4)16-12-20(17(10-19-16)13(2)3)11-15-6-8-18-9-7-15/h6-9,13-14,16-17,19H,5,10-12H2,1-4H3
InChIKeyALZBGNKADNUODZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.93
Rot. Bonds5

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

5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 64850164) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
PubChem CID64850164
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC(C)C1CN(Cc2ccncc2)C(C(C)C)CN1
InChIInChI=1S/C17H29N3/c1-5-14(4)16-12-20(17(10-19-16)13(2)3)11-15-6-8-18-9-7-15/h6-9,13-14,16-17,19H,5,10-12H2,1-4H3
InChIKeyALZBGNKADNUODZ-UHFFFAOYSA-N
XLogP2.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.93
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-(pyridin-4-ylmethyl)piperazine
CID 64847262
5-butan-2-yl-1-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpiperazine
CID 64937010
5-butan-2-yl-1-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpiperazine
CID 64938181
3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64831721
5-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpiperazine
CID 103016484
5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64848063
2-[(2-butan-2-yl-5-propan-2-ylpiperazin-1-yl)methyl]pyrimidine
CID 64840780
1-benzyl-5-butan-2-yl-2-phenylpiperazine
CID 64849792
5-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-2-propan-2-ylpiperazine
CID 107901638
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030
5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine
CID 64952069

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine (CID 64850164) is 5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine is CCC(C)C1CN(Cc2ccncc2)C(C(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is ALZBGNKADNUODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-14(4)16-12-20(17(10-19-16)13(2)3)11-15-6-8-18-9-7-15/h6-9,13-14,16-17,19H,5,10-12H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine?
5-butan-2-yl-2-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 275.44 g/mol, XLogP of 2.93, 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-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 64850164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).