3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine

C16H32N2 — CID 114138502

IUPAC3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine
SMILESCCCCC(CCC)N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C16H32N2/c1-4-6-8-15(7-5-2)18-12-11-17-16(3,13-18)14-9-10-14/h14-15,17H,4-13H2,1-3H3
InChIKeyGWGBUQQEFOHIJR-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds7

About 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine

3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine (PubChem CID 114138502) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine
PubChem CID114138502
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine
SMILESCCCCC(CCC)N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C16H32N2/c1-4-6-8-15(7-5-2)18-12-11-17-16(3,13-18)14-9-10-14/h14-15,17H,4-13H2,1-3H3
InChIKeyGWGBUQQEFOHIJR-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine?
The IUPAC name of 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine (CID 114138502) is 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine is CCCCC(CCC)N1CCNC(C)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine?
The InChIKey is GWGBUQQEFOHIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-6-8-15(7-5-2)18-12-11-17-16(3,13-18)14-9-10-14/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine?
3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine is sourced from PubChem (CID 114138502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).