2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine

C17H26N2O — CID 64948447

IUPAC2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine
SMILESCC1CNC(c2ccccc2)CN1CCC1CCCO1
InChIInChI=1S/C17H26N2O/c1-14-12-18-17(15-6-3-2-4-7-15)13-19(14)10-9-16-8-5-11-20-16/h2-4,6-7,14,16-18H,5,8-13H2,1H3
InChIKeyQQVXWJLIPOUIDH-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds4

About 2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine

2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine (PubChem CID 64948447) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine.

Molecular Properties

Compound Name2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine
PubChem CID64948447
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine
SMILESCC1CNC(c2ccccc2)CN1CCC1CCCO1
InChIInChI=1S/C17H26N2O/c1-14-12-18-17(15-6-3-2-4-7-15)13-19(14)10-9-16-8-5-11-20-16/h2-4,6-7,14,16-18H,5,8-13H2,1H3
InChIKeyQQVXWJLIPOUIDH-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine
CID 80696742
1-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-5-phenylpiperazine
CID 106044003
2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64876492
2-methyl-1-pent-4-ynyl-5-phenylpiperazine
CID 114160139
2-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-5-phenylpiperazine
CID 114532383
(2S,5S)-1,2-dimethyl-5-phenylpiperazine
CID 96624962
2,5,5-trimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 64947488
2-ethyl-5-phenyl-1,4-oxazepane
CID 83218632
3-methyl-1-[3-(oxolan-2-yl)propyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79908559
7-methyl-1-(3-methylsulfonylpropyl)-3-phenyl-1,4-diazepane
CID 64869984
1-(2,2-difluoroethyl)-5-phenyl-2-propylpiperazine
CID 64875923
5-benzyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83253136

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine?
The IUPAC name of 2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine (CID 64948447) is 2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine.
What is the SMILES notation for 2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine?
The canonical SMILES for 2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine is CC1CNC(c2ccccc2)CN1CCC1CCCO1.
What is the InChIKey of 2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine?
The InChIKey is QQVXWJLIPOUIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-12-18-17(15-6-3-2-4-7-15)13-19(14)10-9-16-8-5-11-20-16/h2-4,6-7,14,16-18H,5,8-13H2,1H3.
What are the key properties of 2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine?
2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine has a molecular weight of 274.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(oxolan-2-yl)ethyl]-5-phenylpiperazine is sourced from PubChem (CID 64948447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).