2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine

C15H30N2O — CID 114106374

IUPAC2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1CC1CCOC1C
InChIInChI=1S/C15H30N2O/c1-5-14-8-16-15(11(2)3)10-17(14)9-13-6-7-18-12(13)4/h11-16H,5-10H2,1-4H3
InChIKeyIPOWGKLESCZNAI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds4

About 2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine

2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine (PubChem CID 114106374) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine
PubChem CID114106374
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1CC1CCOC1C
InChIInChI=1S/C15H30N2O/c1-5-14-8-16-15(11(2)3)10-17(14)9-13-6-7-18-12(13)4/h11-16H,5-10H2,1-4H3
InChIKeyIPOWGKLESCZNAI-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine?
The IUPAC name of 2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine (CID 114106374) is 2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine?
The canonical SMILES for 2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine is CCC1CNC(C(C)C)CN1CC1CCOC1C.
What is the InChIKey of 2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine?
The InChIKey is IPOWGKLESCZNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-14-8-16-15(11(2)3)10-17(14)9-13-6-7-18-12(13)4/h11-16H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine?
2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(2-methyloxolan-3-yl)methyl]-5-propan-2-ylpiperazine is sourced from PubChem (CID 114106374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).