1-hexyl-3-(2-methylpropyl)piperazine

C14H30N2 — CID 64834623

IUPAC1-hexyl-3-(2-methylpropyl)piperazine
SMILESCCCCCCN1CCNC(CC(C)C)C1
InChIInChI=1S/C14H30N2/c1-4-5-6-7-9-16-10-8-15-14(12-16)11-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyJIVOJBVXBVKEBK-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds7

About 1-hexyl-3-(2-methylpropyl)piperazine

1-hexyl-3-(2-methylpropyl)piperazine (PubChem CID 64834623) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-hexyl-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-hexyl-3-(2-methylpropyl)piperazine
PubChem CID64834623
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-hexyl-3-(2-methylpropyl)piperazine
SMILESCCCCCCN1CCNC(CC(C)C)C1
InChIInChI=1S/C14H30N2/c1-4-5-6-7-9-16-10-8-15-14(12-16)11-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyJIVOJBVXBVKEBK-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-pentylpiperazine
CID 64832988
2-[3-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112546379
1-(2-fluoroethyl)-3-(2-methylpropyl)piperazine
CID 80695147
1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)piperazine
CID 103414044
3-ethyl-1-octyl-1,4-diazepane
CID 64871697
1-(3-fluoropropyl)-3-(2-methylpropyl)-1,4-diazepane
CID 81113598
3-(2-methylpropyl)-1-(4-methylsulfanylbutyl)-1,4-diazepane
CID 113488331
(4-butylpiperazin-2-yl)methanamine
CID 117026802
3-benzyl-1-octylpiperazine
CID 64833102
1-hexyl-3-(2-methylpropyl)pyrrolidine
CID 169242044
3-ethyl-1-pentyl-1,4-diazepane
CID 64869528
3-cyclopropyl-1-octylpiperazine
CID 64833415

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-hexyl-3-(2-methylpropyl)piperazine (CID 64834623) is 1-hexyl-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-hexyl-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-hexyl-3-(2-methylpropyl)piperazine is CCCCCCN1CCNC(CC(C)C)C1.
What is the InChIKey of 1-hexyl-3-(2-methylpropyl)piperazine?
The InChIKey is JIVOJBVXBVKEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-5-6-7-9-16-10-8-15-14(12-16)11-13(2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-hexyl-3-(2-methylpropyl)piperazine?
1-hexyl-3-(2-methylpropyl)piperazine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 64834623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).