2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine

C17H32N2O — CID 64838500

IUPAC2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CC2CCCCO2)C(C)(C2CC2)CN1
InChIInChI=1S/C17H32N2O/c1-13(2)16-11-19(10-15-6-4-5-9-20-15)17(3,12-18-16)14-7-8-14/h13-16,18H,4-12H2,1-3H3
InChIKeyGUHIJWSSYIBILG-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.65
Rot. Bonds4

About 2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine

2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine (PubChem CID 64838500) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine
PubChem CID64838500
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(CC2CCCCO2)C(C)(C2CC2)CN1
InChIInChI=1S/C17H32N2O/c1-13(2)16-11-19(10-15-6-4-5-9-20-15)17(3,12-18-16)14-7-8-14/h13-16,18H,4-12H2,1-3H3
InChIKeyGUHIJWSSYIBILG-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine?
The IUPAC name of 2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine (CID 64838500) is 2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine is CC(C)C1CN(CC2CCCCO2)C(C)(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine?
The InChIKey is GUHIJWSSYIBILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(2)16-11-19(10-15-6-4-5-9-20-15)17(3,12-18-16)14-7-8-14/h13-16,18H,4-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine?
2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine has a molecular weight of 280.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-1-(oxan-2-ylmethyl)-5-propan-2-ylpiperazine is sourced from PubChem (CID 64838500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).