2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine

C16H32N2 — CID 64843292

IUPAC2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine
SMILESCCC1CN(CC2CCCC2)C(C(C)CC)CN1
InChIInChI=1S/C16H32N2/c1-4-13(3)16-10-17-15(5-2)12-18(16)11-14-8-6-7-9-14/h13-17H,4-12H2,1-3H3
InChIKeyICTKTLGDRCNJEY-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds5

About 2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine

2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine (PubChem CID 64843292) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine
PubChem CID64843292
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine
SMILESCCC1CN(CC2CCCC2)C(C(C)CC)CN1
InChIInChI=1S/C16H32N2/c1-4-13(3)16-10-17-15(5-2)12-18(16)11-14-8-6-7-9-14/h13-17H,4-12H2,1-3H3
InChIKeyICTKTLGDRCNJEY-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-1,5-diethylpiperazine
CID 64842903
1-(cyclopentylmethyl)-2,5-diethylpiperazine
CID 64843856
2-butan-2-yl-5-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine
CID 64848740
2-butan-2-yl-1-(oxan-4-ylmethyl)-5-propylpiperazine
CID 64840141
2-butan-2-yl-1-cyclohexyl-5-ethylpiperazine
CID 82937197
1-(cyclopentylmethyl)-5-ethyl-2-propylpiperazine
CID 64842116
2-butan-2-yl-5-ethyl-1-octylpiperazine
CID 64842711
1-(cyclobutylmethyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64934807
2-butan-2-yl-5-ethyl-1-heptylpiperazine
CID 64840963
5-ethyl-1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64948246
2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine
CID 64861206
2-butan-2-yl-5-ethyl-1-(4-methoxybutyl)piperazine
CID 104650200

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine?
The IUPAC name of 2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine (CID 64843292) is 2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine.
What is the SMILES notation for 2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine?
The canonical SMILES for 2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine is CCC1CN(CC2CCCC2)C(C(C)CC)CN1.
What is the InChIKey of 2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine?
The InChIKey is ICTKTLGDRCNJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-13(3)16-10-17-15(5-2)12-18(16)11-14-8-6-7-9-14/h13-17H,4-12H2,1-3H3.
What are the key properties of 2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine?
2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-(cyclopentylmethyl)-5-ethylpiperazine is sourced from PubChem (CID 64843292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).