2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine

C16H30N4 — CID 64845053

IUPAC2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine
SMILESCCC(C)C1CNCCN1Cc1ccn(C(C)CC)n1
InChIInChI=1S/C16H30N4/c1-5-13(3)16-11-17-8-10-19(16)12-15-7-9-20(18-15)14(4)6-2/h7,9,13-14,16-17H,5-6,8,10-12H2,1-4H3
InChIKeyWDVXVYHQYKSOFU-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.67
Rot. Bonds6

About 2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine

2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine (PubChem CID 64845053) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine
PubChem CID64845053
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine
SMILESCCC(C)C1CNCCN1Cc1ccn(C(C)CC)n1
InChIInChI=1S/C16H30N4/c1-5-13(3)16-11-17-8-10-19(16)12-15-7-9-20(18-15)14(4)6-2/h7,9,13-14,16-17H,5-6,8,10-12H2,1-4H3
InChIKeyWDVXVYHQYKSOFU-UHFFFAOYSA-N
XLogP2.67
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butan-2-yl-1-[(4-ethylphenyl)methyl]piperazine
CID 64844062
2-butan-2-yl-1-[(2,5-difluorophenyl)methyl]piperazine
CID 64844061
1-butan-2-yl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)methyl]pyrazole
CID 64783273
2-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 64783841
3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-one
CID 114451530
1-butan-2-yl-3-(pyrrolidin-3-yloxymethyl)pyrazole
CID 64785935
2-butan-2-yl-1-[(3,4-difluorophenyl)methyl]piperazine
CID 82924877
1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidine-2-carbonitrile
CID 64800553
2-butan-2-yl-1-[(2,5-dimethylphenyl)methyl]piperazine
CID 64844455
3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114451905
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-4-methylpiperidine
CID 102954086
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64837936

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine?
The IUPAC name of 2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine (CID 64845053) is 2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine is CCC(C)C1CNCCN1Cc1ccn(C(C)CC)n1.
What is the InChIKey of 2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine?
The InChIKey is WDVXVYHQYKSOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-13(3)16-11-17-8-10-19(16)12-15-7-9-20(18-15)14(4)6-2/h7,9,13-14,16-17H,5-6,8,10-12H2,1-4H3.
What are the key properties of 2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine?
2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine has a molecular weight of 278.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 64845053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).