2-cyclopropyl-5-ethyl-2,5-dimethyl-1-pentan-2-ylpiperazine

C16H32N2 — CID 107888613

IUPAC2-cyclopropyl-5-ethyl-2,5-dimethyl-1-pentan-2-ylpiperazine
SMILESCCCC(C)N1CC(C)(CC)NCC1(C)C1CC1
InChIInChI=1S/C16H32N2/c1-6-8-13(3)18-12-15(4,7-2)17-11-16(18,5)14-9-10-14/h13-14,17H,6-12H2,1-5H3
InChIKeyMQWLBXXGEROQFX-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds5

About 2-cyclopropyl-5-ethyl-2,5-dimethyl-1-pentan-2-ylpiperazine

2-cyclopropyl-5-ethyl-2,5-dimethyl-1-pentan-2-ylpiperazine (PubChem CID 107888613) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-cyclopropyl-5-ethyl-2,5-dimethyl-1-pentan-2-ylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-5-ethyl-2,5-dimethyl-1-pentan-2-ylpiperazine
PubChem CID107888613
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-cyclopropyl-5-ethyl-2,5-dimethyl-1-pentan-2-ylpiperazine
SMILESCCCC(C)N1CC(C)(CC)NCC1(C)C1CC1
InChIInChI=1S/C16H32N2/c1-6-8-13(3)18-12-15(4,7-2)17-11-16(18,5)14-9-10-14/h13-14,17H,6-12H2,1-5H3
InChIKeyMQWLBXXGEROQFX-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 2-cyclopropyl-5-ethyl-2,5-dimethyl-1-pentan-2-ylpiperazine?
The IUPAC name of 2-cyclopropyl-5-ethyl-2,5-dimethyl-1-pentan-2-ylpiperazine (CID 107888613) is 2-cyclopropyl-5-ethyl-2,5-dimethyl-1-pentan-2-ylpiperazine.
What is the SMILES notation for 2-cyclopropyl-5-ethyl-2,5-dimethyl-1-pentan-2-ylpiperazine?
The canonical SMILES for 2-cyclopropyl-5-ethyl-2,5-dimethyl-1-pentan-2-ylpiperazine is CCCC(C)N1CC(C)(CC)NCC1(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-5-ethyl-2,5-dimethyl-1-pentan-2-ylpiperazine?
The InChIKey is MQWLBXXGEROQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-8-13(3)18-12-15(4,7-2)17-11-16(18,5)14-9-10-14/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 2-cyclopropyl-5-ethyl-2,5-dimethyl-1-pentan-2-ylpiperazine?
2-cyclopropyl-5-ethyl-2,5-dimethyl-1-pentan-2-ylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-ethyl-2,5-dimethyl-1-pentan-2-ylpiperazine is sourced from PubChem (CID 107888613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).