1-(4-methylpentyl)-4-(2-methylpropyl)piperazine

C14H30N2 — CID 21131473

IUPAC1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CCCN1CCN(CC(C)C)CC1
InChIInChI=1S/C14H30N2/c1-13(2)6-5-7-15-8-10-16(11-9-15)12-14(3)4/h13-14H,5-12H2,1-4H3
InChIKeyMFEHQLIJFCPDIY-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.70
Rot. Bonds6

About 1-(4-methylpentyl)-4-(2-methylpropyl)piperazine

1-(4-methylpentyl)-4-(2-methylpropyl)piperazine (PubChem CID 21131473) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(4-methylpentyl)-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
PubChem CID21131473
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CCCN1CCN(CC(C)C)CC1
InChIInChI=1S/C14H30N2/c1-13(2)6-5-7-15-8-10-16(11-9-15)12-14(3)4/h13-14H,5-12H2,1-4H3
InChIKeyMFEHQLIJFCPDIY-UHFFFAOYSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methylpentoxy)ethyl]-4-(2-methylpropyl)piperazine
CID 138727344
N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775254
1-hydroxy-4-(4-methylpentyl)piperazine
CID 59781141
2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine
CID 83155367
4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine
CID 83155485
4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-ol
CID 62777800
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453
4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 91228276
6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one
CID 106801418
potassium 1-methanidyl-4-(5-methylhexyl)piperazine
CID 155750789
1-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-(4-methylpentyl)-4-(2-methylpropyl)piperazine (CID 21131473) is 1-(4-methylpentyl)-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(4-methylpentyl)-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(4-methylpentyl)-4-(2-methylpropyl)piperazine is CC(C)CCCN1CCN(CC(C)C)CC1.
What is the InChIKey of 1-(4-methylpentyl)-4-(2-methylpropyl)piperazine?
The InChIKey is MFEHQLIJFCPDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13(2)6-5-7-15-8-10-16(11-9-15)12-14(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-(4-methylpentyl)-4-(2-methylpropyl)piperazine?
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine has a molecular weight of 226.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 21131473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).