2-(2-methylpropyl)-1-pentyl-5-propylpiperazine

C16H34N2 — CID 64839965

IUPAC2-(2-methylpropyl)-1-pentyl-5-propylpiperazine
SMILESCCCCCN1CC(CCC)NCC1CC(C)C
InChIInChI=1S/C16H34N2/c1-5-7-8-10-18-13-15(9-6-2)17-12-16(18)11-14(3)4/h14-17H,5-13H2,1-4H3
InChIKeyCEMGBUMABBCRDQ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds8

About 2-(2-methylpropyl)-1-pentyl-5-propylpiperazine

2-(2-methylpropyl)-1-pentyl-5-propylpiperazine (PubChem CID 64839965) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-pentyl-5-propylpiperazine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-pentyl-5-propylpiperazine
PubChem CID64839965
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name2-(2-methylpropyl)-1-pentyl-5-propylpiperazine
SMILESCCCCCN1CC(CCC)NCC1CC(C)C
InChIInChI=1S/C16H34N2/c1-5-7-8-10-18-13-15(9-6-2)17-12-16(18)11-14(3)4/h14-17H,5-13H2,1-4H3
InChIKeyCEMGBUMABBCRDQ-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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

5-(2-methylpropyl)-1-octyl-2-propylpiperazine
CID 64847186
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724
1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine
CID 64839963
2-(2-methylpropyl)-1-(2-propan-2-ylsulfonylethyl)-5-propylpiperazine
CID 106732868
2-butan-2-yl-1-pentyl-5-propylpiperazine
CID 64839559
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
1-(cyclopentylmethyl)-2-(2-methylpropyl)-5-propylpiperazine
CID 64840737
5-ethyl-1-octyl-2-propylpiperazine
CID 64841338
2-(2-methylpropyl)-1-pentyl-5-phenylpiperazine
CID 64878424
2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
CID 115327036
1-(3-fluoropropyl)-2,5-dipropylpiperazine
CID 81114186
5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine
CID 65096899

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-pentyl-5-propylpiperazine?
The IUPAC name of 2-(2-methylpropyl)-1-pentyl-5-propylpiperazine (CID 64839965) is 2-(2-methylpropyl)-1-pentyl-5-propylpiperazine.
What is the SMILES notation for 2-(2-methylpropyl)-1-pentyl-5-propylpiperazine?
The canonical SMILES for 2-(2-methylpropyl)-1-pentyl-5-propylpiperazine is CCCCCN1CC(CCC)NCC1CC(C)C.
What is the InChIKey of 2-(2-methylpropyl)-1-pentyl-5-propylpiperazine?
The InChIKey is CEMGBUMABBCRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-7-8-10-18-13-15(9-6-2)17-12-16(18)11-14(3)4/h14-17H,5-13H2,1-4H3.
What are the key properties of 2-(2-methylpropyl)-1-pentyl-5-propylpiperazine?
2-(2-methylpropyl)-1-pentyl-5-propylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-pentyl-5-propylpiperazine is sourced from PubChem (CID 64839965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).