2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine

C13H26N2O — CID 64947488

IUPAC2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
SMILESCC1CNC(C)(C)CN1CCC1CCCO1
InChIInChI=1S/C13H26N2O/c1-11-9-14-13(2,3)10-15(11)7-6-12-5-4-8-16-12/h11-12,14H,4-10H2,1-3H3
InChIKeyLQHSPLSUNQRQBO-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds3

About 2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine

2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine (PubChem CID 64947488) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
PubChem CID64947488
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
SMILESCC1CNC(C)(C)CN1CCC1CCCO1
InChIInChI=1S/C13H26N2O/c1-11-9-14-13(2,3)10-15(11)7-6-12-5-4-8-16-12/h11-12,14H,4-10H2,1-3H3
InChIKeyLQHSPLSUNQRQBO-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-2-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170378
9-methyl-10-[2-(oxolan-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 65170391
3,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]-1,4-diazepane
CID 64943274
2-tert-butyl-5-cyclopropyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170537
2-tert-butyl-5,5-dimethyl-1-(oxolan-2-ylmethyl)piperazine
CID 64839542
4-[2-(oxolan-2-yl)ethyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64947296
5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64945561
1-(cyclobutylmethyl)-2,5,5-trimethylpiperazine
CID 64934999
1-(cyclopropylmethyl)-2,5,5-trimethylpiperazine
CID 64840059
1-(3-ethoxypropyl)-2,5,5-trimethylpiperazine
CID 64931860
2,2-diethyl-5,5-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170575
2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine
CID 64948447

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine?
The IUPAC name of 2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine (CID 64947488) is 2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine.
What is the SMILES notation for 2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine?
The canonical SMILES for 2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine is CC1CNC(C)(C)CN1CCC1CCCO1.
What is the InChIKey of 2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine?
The InChIKey is LQHSPLSUNQRQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-9-14-13(2,3)10-15(11)7-6-12-5-4-8-16-12/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine?
2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine is sourced from PubChem (CID 64947488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).