tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate

C12H24N2O3 — CID 123813645

IUPACtert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate
SMILESCC1CNC(CCO)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-9-7-13-10(5-6-15)8-14(9)11(16)17-12(2,3)4/h9-10,13,15H,5-8H2,1-4H3
InChIKeyDXELSHXRWUDHCP-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.97
Rot. Bonds2

About tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate

tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate (PubChem CID 123813645) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate
PubChem CID123813645
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate
SMILESCC1CNC(CCO)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-9-7-13-10(5-6-15)8-14(9)11(16)17-12(2,3)4/h9-10,13,15H,5-8H2,1-4H3
InChIKeyDXELSHXRWUDHCP-UHFFFAOYSA-N
XLogP0.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-methyl-5-propylpiperazine-1-carboxylate
CID 134791338
tert-butyl (2R)-5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate
CID 175579571
tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
CID 11745988
tert-butyl 3-(2-hydroxyethyl)piperazine-1-carboxylate
CID 53407692
tert-butyl (2R,5R)-5-cyano-2-methylpiperazine-1-carboxylate
CID 172908127
ditert-butyl (2R,5S)-2-(hydroxymethyl)-5-methylpiperazine-1,4-dicarboxylate
CID 162711929
tert-butyl 2,5-bis(2-methylpropyl)piperazine-1-carboxylate
CID 156757894
tert-butyl (2R,5S)-2-methyl-5-[[(3S)-3-(propan-2-yloxymethyl)morpholin-4-yl]methyl]piperazine-1-carboxylate
CID 167526941
tert-butyl (2R,5S)-5-(hydroxymethyl)-2-methylpiperidine-1-carboxylate
CID 59277644
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate
CID 58617998
tert-butyl (2R)-6-hydroxy-2-methyl-5-propylazepane-1-carboxylate
CID 170031405

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate (CID 123813645) is tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate is CC1CNC(CCO)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate?
The InChIKey is DXELSHXRWUDHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9-7-13-10(5-6-15)8-14(9)11(16)17-12(2,3)4/h9-10,13,15H,5-8H2,1-4H3.
What are the key properties of tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate?
tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(2-hydroxyethyl)-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 123813645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).