1-ethyl-4-(2,4,4-trimethylpentan-2-yl)piperazine

C14H30N2 — CID 143657095

IUPAC1-ethyl-4-(2,4,4-trimethylpentan-2-yl)piperazine
SMILESCCN1CCN(C(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C14H30N2/c1-7-15-8-10-16(11-9-15)14(5,6)12-13(2,3)4/h7-12H2,1-6H3
InChIKeyAHTDWFZXGKWHKK-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.84
Rot. Bonds3

About 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)piperazine

1-ethyl-4-(2,4,4-trimethylpentan-2-yl)piperazine (PubChem CID 143657095) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(2,4,4-trimethylpentan-2-yl)piperazine
PubChem CID143657095
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-ethyl-4-(2,4,4-trimethylpentan-2-yl)piperazine
SMILESCCN1CCN(C(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C14H30N2/c1-7-15-8-10-16(11-9-15)14(5,6)12-13(2,3)4/h7-12H2,1-6H3
InChIKeyAHTDWFZXGKWHKK-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
CID 9161367
1-ethyl-4-(2-iodopropan-2-yl)piperazine
CID 163586506
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
4-(2,4,4-trimethylpentan-2-yl)thiomorpholine
CID 91470438
1-methyl-4-(2,4,4-trimethylpentan-2-yl)-1,4-diazepane
CID 123694831
1,4-diethylpiperazine;sulfane
CID 177062456
1-(2-methylpentan-2-yl)-4-propylpiperazine
CID 170790911
1,4,7,10-tetrakis(2-methylbutan-2-yl)-1,4,7,10-tetrazacyclododecane
CID 139847650
4-[[4-(2,4,4-trimethylpentan-2-yl)piperazin-1-yl]methyl]benzoic acid
CID 122035157
3-(4-ethylpiperazin-1-yl)-3-methylbutan-2-amine
CID 134184518
1-(2,4,4,6,6-pentamethylheptan-2-yl)-4-propan-2-ylpiperazine
CID 167181196
4,10-diethyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane
CID 18740677

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)piperazine?
The IUPAC name of 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)piperazine (CID 143657095) is 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)piperazine.
What is the SMILES notation for 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)piperazine?
The canonical SMILES for 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)piperazine is CCN1CCN(C(C)(C)CC(C)(C)C)CC1.
What is the InChIKey of 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)piperazine?
The InChIKey is AHTDWFZXGKWHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-7-15-8-10-16(11-9-15)14(5,6)12-13(2,3)4/h7-12H2,1-6H3.
What are the key properties of 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)piperazine?
1-ethyl-4-(2,4,4-trimethylpentan-2-yl)piperazine has a molecular weight of 226.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2,4,4-trimethylpentan-2-yl)piperazine is sourced from PubChem (CID 143657095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).