1-(7-methyloctyl)-3-propan-2-ylpiperazine

C16H34N2 — CID 107818463

IUPAC1-(7-methyloctyl)-3-propan-2-ylpiperazine
SMILESCC(C)CCCCCCN1CCNC(C(C)C)C1
InChIInChI=1S/C16H34N2/c1-14(2)9-7-5-6-8-11-18-12-10-17-16(13-18)15(3)4/h14-17H,5-13H2,1-4H3
InChIKeyLBXHSOJCVCFYTR-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds8

About 1-(7-methyloctyl)-3-propan-2-ylpiperazine

1-(7-methyloctyl)-3-propan-2-ylpiperazine (PubChem CID 107818463) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(7-methyloctyl)-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(7-methyloctyl)-3-propan-2-ylpiperazine
PubChem CID107818463
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(7-methyloctyl)-3-propan-2-ylpiperazine
SMILESCC(C)CCCCCCN1CCNC(C(C)C)C1
InChIInChI=1S/C16H34N2/c1-14(2)9-7-5-6-8-11-18-12-10-17-16(13-18)15(3)4/h14-17H,5-13H2,1-4H3
InChIKeyLBXHSOJCVCFYTR-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
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-butan-2-yl-1-(4-methylpentyl)piperazine
CID 64952597
1-(8-methylnonyl)piperazine
CID 170614920
3-cyclohexyl-1-(5-methylhexyl)piperazine
CID 115327049
1-(4-methoxybutyl)-3-propan-2-yl-1,4-diazepane
CID 64949735
3-butan-2-yl-1-(3-methylbutyl)piperazine
CID 64833096
3-methyl-1-(5-methylhexyl)-1,4-diazepane
CID 115327095
1-(2-cyclohexylethyl)-3-propan-2-ylpiperazine
CID 64925108
3-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64834410
1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine
CID 64925311
1-[(3S)-3-propan-2-ylpiperazin-1-yl]propan-2-amine
CID 130676072
(3S)-3-propan-2-yl-1-prop-2-ynylpiperazine
CID 130735647
3-propan-2-yl-1-(2-propylsulfonylethyl)piperazine
CID 106732690

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyloctyl)-3-propan-2-ylpiperazine?
The IUPAC name of 1-(7-methyloctyl)-3-propan-2-ylpiperazine (CID 107818463) is 1-(7-methyloctyl)-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-(7-methyloctyl)-3-propan-2-ylpiperazine?
The canonical SMILES for 1-(7-methyloctyl)-3-propan-2-ylpiperazine is CC(C)CCCCCCN1CCNC(C(C)C)C1.
What is the InChIKey of 1-(7-methyloctyl)-3-propan-2-ylpiperazine?
The InChIKey is LBXHSOJCVCFYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-14(2)9-7-5-6-8-11-18-12-10-17-16(13-18)15(3)4/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-(7-methyloctyl)-3-propan-2-ylpiperazine?
1-(7-methyloctyl)-3-propan-2-ylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyloctyl)-3-propan-2-ylpiperazine is sourced from PubChem (CID 107818463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).