1-octan-4-yl-3-propylpiperazine

C15H32N2 — CID 114138506

IUPAC1-octan-4-yl-3-propylpiperazine
SMILESCCCCC(CCC)N1CCNC(CCC)C1
InChIInChI=1S/C15H32N2/c1-4-7-10-15(9-6-3)17-12-11-16-14(13-17)8-5-2/h14-16H,4-13H2,1-3H3
InChIKeyHLDLQAYMOVTSIR-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds8

About 1-octan-4-yl-3-propylpiperazine

1-octan-4-yl-3-propylpiperazine (PubChem CID 114138506) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-octan-4-yl-3-propylpiperazine.

Molecular Properties

Compound Name1-octan-4-yl-3-propylpiperazine
PubChem CID114138506
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-octan-4-yl-3-propylpiperazine
SMILESCCCCC(CCC)N1CCNC(CCC)C1
InChIInChI=1S/C15H32N2/c1-4-7-10-15(9-6-3)17-12-11-16-14(13-17)8-5-2/h14-16H,4-13H2,1-3H3
InChIKeyHLDLQAYMOVTSIR-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-heptan-2-yl-3-propylpiperazine
CID 64924539
1-(1-methoxypentan-2-yl)-3-propyl-1,4-diazepane
CID 64950428
3-propyl-1-(1-thiophen-2-ylethyl)piperazine
CID 64925498
1-[(4R)-octan-4-yl]azetidine
CID 170061956
1-octan-4-ylazonane
CID 123427772
3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine
CID 114138502
methane;1-octan-4-ylpiperidine
CID 143122058
1-octan-4-yl-3,6-dihydro-2H-pyridine
CID 90965036
1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane
CID 64950940
1-(azetidin-3-yl)-3-propylpiperazine;hydrochloride
CID 131203794
7-octan-4-yl-1,7-diazaspiro[3.5]nonane
CID 134177848
1-cyclooctyl-3-propylpiperazine
CID 64924184

Frequently Asked Questions

What is the IUPAC name of 1-octan-4-yl-3-propylpiperazine?
The IUPAC name of 1-octan-4-yl-3-propylpiperazine (CID 114138506) is 1-octan-4-yl-3-propylpiperazine.
What is the SMILES notation for 1-octan-4-yl-3-propylpiperazine?
The canonical SMILES for 1-octan-4-yl-3-propylpiperazine is CCCCC(CCC)N1CCNC(CCC)C1.
What is the InChIKey of 1-octan-4-yl-3-propylpiperazine?
The InChIKey is HLDLQAYMOVTSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-7-10-15(9-6-3)17-12-11-16-14(13-17)8-5-2/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-octan-4-yl-3-propylpiperazine?
1-octan-4-yl-3-propylpiperazine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octan-4-yl-3-propylpiperazine is sourced from PubChem (CID 114138506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).