3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine

C16H32N2 — CID 64923764

IUPAC3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine
SMILESCCC(C)C1CN(C2CCCCC2CC)CCN1
InChIInChI=1S/C16H32N2/c1-4-13(3)15-12-18(11-10-17-15)16-9-7-6-8-14(16)5-2/h13-17H,4-12H2,1-3H3
InChIKeyYEUFGJAVFIPTLL-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds4

About 3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine

3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine (PubChem CID 64923764) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine.

Molecular Properties

Compound Name3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine
PubChem CID64923764
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine
SMILESCCC(C)C1CN(C2CCCCC2CC)CCN1
InChIInChI=1S/C16H32N2/c1-4-13(3)15-12-18(11-10-17-15)16-9-7-6-8-14(16)5-2/h13-17H,4-12H2,1-3H3
InChIKeyYEUFGJAVFIPTLL-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-butan-2-yl-1-(2-methylcyclopentyl)piperazine
CID 64952202
3-butan-2-yl-1-(2-methylsulfanylcyclohexyl)piperazine
CID 114122790
3-butan-2-yl-1-(1-propylpiperidin-4-yl)piperazine
CID 64924764
3-butan-2-yl-1-(2-methyloxan-4-yl)piperazine
CID 114109431
3-(3-butan-2-ylpiperazin-1-yl)-N,N-dimethyl-3H-1,2,4-dithiazol-5-amine
CID 54225744
3-butan-2-yl-1-(2-phenylcyclopropyl)-1,4-diazepane
CID 64950135
(2R)-2-butan-2-ylpiperidine
CID 145087457
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
3-(2-ethylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 113284780
1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine
CID 63863007
1-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine
CID 61470287
3-butan-2-yl-1-(3-methylcyclohexyl)-1,4-diazepane
CID 64943533

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine?
The IUPAC name of 3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine (CID 64923764) is 3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine.
What is the SMILES notation for 3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine?
The canonical SMILES for 3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine is CCC(C)C1CN(C2CCCCC2CC)CCN1.
What is the InChIKey of 3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine?
The InChIKey is YEUFGJAVFIPTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-13(3)15-12-18(11-10-17-15)16-9-7-6-8-14(16)5-2/h13-17H,4-12H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine?
3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2-ethylcyclohexyl)piperazine is sourced from PubChem (CID 64923764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).