1,4-bis(4-methylpentan-2-yl)piperazine

C16H34N2 — CID 3064079

IUPAC1,4-bis(4-methylpentan-2-yl)piperazine
SMILESCC(C)CC(C)N1CCN(C(C)CC(C)C)CC1
InChIInChI=1S/C16H34N2/c1-13(2)11-15(5)17-7-9-18(10-8-17)16(6)12-14(3)4/h13-16H,7-12H2,1-6H3
InChIKeyJFIKBLWUBSNXGM-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.47
Rot. Bonds6

About 1,4-bis(4-methylpentan-2-yl)piperazine

1,4-bis(4-methylpentan-2-yl)piperazine (PubChem CID 3064079) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1,4-bis(4-methylpentan-2-yl)piperazine.

Molecular Properties

Compound Name1,4-bis(4-methylpentan-2-yl)piperazine
PubChem CID3064079
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1,4-bis(4-methylpentan-2-yl)piperazine
SMILESCC(C)CC(C)N1CCN(C(C)CC(C)C)CC1
InChIInChI=1S/C16H34N2/c1-13(2)11-15(5)17-7-9-18(10-8-17)16(6)12-14(3)4/h13-16H,7-12H2,1-6H3
InChIKeyJFIKBLWUBSNXGM-UHFFFAOYSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(4-methylpentan-2-yl)piperazine;dihydrobromide
CID 3064078
1-(4-methylpentan-2-yl)pyrrolidine
CID 59761841
1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116
4-ethyl-6-methyl-1-(4-methylpentan-2-yl)-1,5-diazocane
CID 54973100
4-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-ol
CID 64720384
2-(4-butan-2-ylpiperazin-1-yl)-4-methylpentan-1-amine
CID 55117502
4-(4-ethylpiperazin-1-yl)pentan-2-amine
CID 64707978
1-(4-methylpentan-2-yl)piperidin-3-amine
CID 61295686
1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine
CID 58786587
N-methyl-4-pyrrolidin-1-ylpentan-2-amine
CID 64709027
4-(4-cyclopropylpiperazin-1-yl)pentan-2-amine
CID 64706994
1-(5-methylhex-1-yn-3-yl)pyrrolidine
CID 142940648

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-methylpentan-2-yl)piperazine?
The IUPAC name of 1,4-bis(4-methylpentan-2-yl)piperazine (CID 3064079) is 1,4-bis(4-methylpentan-2-yl)piperazine.
What is the SMILES notation for 1,4-bis(4-methylpentan-2-yl)piperazine?
The canonical SMILES for 1,4-bis(4-methylpentan-2-yl)piperazine is CC(C)CC(C)N1CCN(C(C)CC(C)C)CC1.
What is the InChIKey of 1,4-bis(4-methylpentan-2-yl)piperazine?
The InChIKey is JFIKBLWUBSNXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-13(2)11-15(5)17-7-9-18(10-8-17)16(6)12-14(3)4/h13-16H,7-12H2,1-6H3.
What are the key properties of 1,4-bis(4-methylpentan-2-yl)piperazine?
1,4-bis(4-methylpentan-2-yl)piperazine has a molecular weight of 254.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-methylpentan-2-yl)piperazine is sourced from PubChem (CID 3064079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).