1-(5-methylhexyl)-2-propan-2-ylpiperazine

C14H30N2 — CID 115327087

IUPAC1-(5-methylhexyl)-2-propan-2-ylpiperazine
SMILESCC(C)CCCCN1CCNCC1C(C)C
InChIInChI=1S/C14H30N2/c1-12(2)7-5-6-9-16-10-8-15-11-14(16)13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyWQCKKZMBUAOBKI-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds6

About 1-(5-methylhexyl)-2-propan-2-ylpiperazine

1-(5-methylhexyl)-2-propan-2-ylpiperazine (PubChem CID 115327087) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(5-methylhexyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-methylhexyl)-2-propan-2-ylpiperazine
PubChem CID115327087
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(5-methylhexyl)-2-propan-2-ylpiperazine
SMILESCC(C)CCCCN1CCNCC1C(C)C
InChIInChI=1S/C14H30N2/c1-12(2)7-5-6-9-16-10-8-15-11-14(16)13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyWQCKKZMBUAOBKI-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
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

1-pent-4-ynyl-2-propan-2-ylpiperazine
CID 106222019
(2R)-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 94982854
2-methyl-1-(4-methylpentyl)piperazine
CID 64931123
1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine
CID 82250820
1-(3-phenylpropyl)-2-propan-2-ylpiperazine
CID 64832545
2-cyclopropyl-1-(4-methylpentyl)piperazine
CID 83169348
1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64832939
1-(3-imidazol-1-ylpropyl)-2-propan-2-ylpiperazine
CID 64832153
1-(7-methyloctyl)-2-phenylpiperazine
CID 107818420
1-(4-methylpentyl)-2-propan-2-ylpyrrolidine
CID 163278091
1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine
CID 107901384
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhexyl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-(5-methylhexyl)-2-propan-2-ylpiperazine (CID 115327087) is 1-(5-methylhexyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(5-methylhexyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(5-methylhexyl)-2-propan-2-ylpiperazine is CC(C)CCCCN1CCNCC1C(C)C.
What is the InChIKey of 1-(5-methylhexyl)-2-propan-2-ylpiperazine?
The InChIKey is WQCKKZMBUAOBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)7-5-6-9-16-10-8-15-11-14(16)13(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 1-(5-methylhexyl)-2-propan-2-ylpiperazine?
1-(5-methylhexyl)-2-propan-2-ylpiperazine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhexyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 115327087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).