1-(7-methyloctyl)-4-propan-2-ylpiperazine

C16H34N2 — CID 168753861

IUPAC1-(7-methyloctyl)-4-propan-2-ylpiperazine
SMILESCC(C)CCCCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-15(2)9-7-5-6-8-10-17-11-13-18(14-12-17)16(3)4/h15-16H,5-14H2,1-4H3
InChIKeyHIPGBKOAVAEFFW-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.62
Rot. Bonds8

About 1-(7-methyloctyl)-4-propan-2-ylpiperazine

1-(7-methyloctyl)-4-propan-2-ylpiperazine (PubChem CID 168753861) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(7-methyloctyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(7-methyloctyl)-4-propan-2-ylpiperazine
PubChem CID168753861
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(7-methyloctyl)-4-propan-2-ylpiperazine
SMILESCC(C)CCCCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C16H34N2/c1-15(2)9-7-5-6-8-10-17-11-13-18(14-12-17)16(3)4/h15-16H,5-14H2,1-4H3
InChIKeyHIPGBKOAVAEFFW-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(8-methyldecyl)-4-propan-2-ylpiperazine
CID 171838375
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
1-(5-chloropentyl)-4-propan-2-ylpiperazine
CID 61288760
1-tert-butyl-4-(7-methyloctyl)piperazine
CID 138467260
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine
CID 174276401
potassium 1-methanidyl-4-(5-methylhexyl)piperazine
CID 155750789
1-(8-methylnonyl)piperazine
CID 170614920
4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine
CID 83155485
ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
CID 169214701
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
5-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-ol
CID 110923815

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyloctyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(7-methyloctyl)-4-propan-2-ylpiperazine (CID 168753861) is 1-(7-methyloctyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(7-methyloctyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(7-methyloctyl)-4-propan-2-ylpiperazine is CC(C)CCCCCCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-(7-methyloctyl)-4-propan-2-ylpiperazine?
The InChIKey is HIPGBKOAVAEFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-15(2)9-7-5-6-8-10-17-11-13-18(14-12-17)16(3)4/h15-16H,5-14H2,1-4H3.
What are the key properties of 1-(7-methyloctyl)-4-propan-2-ylpiperazine?
1-(7-methyloctyl)-4-propan-2-ylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyloctyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 168753861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).