(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine

C11H24N2O — CID 104976707

IUPAC(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
SMILESC[C@H]1CN(CCOC(C)(C)C)CCN1
InChIInChI=1S/C11H24N2O/c1-10-9-13(6-5-12-10)7-8-14-11(2,3)4/h10,12H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyGQJRNILAVWACHB-JTQLQIEISA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds3

About (3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine

(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine (PubChem CID 104976707) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
PubChem CID104976707
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
SMILESC[C@H]1CN(CCOC(C)(C)C)CCN1
InChIInChI=1S/C11H24N2O/c1-10-9-13(6-5-12-10)7-8-14-11(2,3)4/h10,12H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyGQJRNILAVWACHB-JTQLQIEISA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-methylpiperazin-1-yl]ethyl formate
CID 174476285
2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol
CID 79355818
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine
CID 103181598
1-[[(3S)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperazine
CID 154957359
1-(2,2-dimethylpropyl)-3-methylpiperazine
CID 59519991
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 65448835
(3R)-3-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 104975435
(2S)-1-tert-butyl-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 170669697
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114502590
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 59691701
(3R)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
CID 103939668
3-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 112591814

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The IUPAC name of (3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine (CID 104976707) is (3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine.
What is the SMILES notation for (3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The canonical SMILES for (3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine is C[C@H]1CN(CCOC(C)(C)C)CCN1.
What is the InChIKey of (3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The InChIKey is GQJRNILAVWACHB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O/c1-10-9-13(6-5-12-10)7-8-14-11(2,3)4/h10,12H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
(3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine is sourced from PubChem (CID 104976707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).