tert-butyl 1-(1-hydroxyethyl)piperazine-2-carboxylate

C11H22N2O3 — CID 22480083

IUPACtert-butyl 1-(1-hydroxyethyl)piperazine-2-carboxylate
SMILESCC(O)N1CCNCC1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-8(14)13-6-5-12-7-9(13)10(15)16-11(2,3)4/h8-9,12,14H,5-7H2,1-4H3
InChIKeyJQXXHBUAPBFIOQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.06
Rot. Bonds2

About tert-butyl 1-(1-hydroxyethyl)piperazine-2-carboxylate

tert-butyl 1-(1-hydroxyethyl)piperazine-2-carboxylate (PubChem CID 22480083) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl 1-(1-hydroxyethyl)piperazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(1-hydroxyethyl)piperazine-2-carboxylate
PubChem CID22480083
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl 1-(1-hydroxyethyl)piperazine-2-carboxylate
SMILESCC(O)N1CCNCC1C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-8(14)13-6-5-12-7-9(13)10(15)16-11(2,3)4/h8-9,12,14H,5-7H2,1-4H3
InChIKeyJQXXHBUAPBFIOQ-UHFFFAOYSA-N
XLogP-0.06
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 141065413
azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 154966146
tert-butyl (2R)-1-propan-2-ylpyrrolidine-2-carboxylate
CID 115320230
tert-butyl 2-(2-methylpropylcarbamoyl)piperazine-1-carboxylate
CID 141077468
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
tert-butyl hydrogen carbonate;2-methylpiperazine-1-carbonyl chloride
CID 175306279
tert-butyl 1-[(1S)-1-phenylethyl]aziridine-2-carboxylate
CID 101000098
1-O-tert-butyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate
CID 67976605
1-O-tert-butyl 2-O-methyl (2S)-1,4-diazepane-1,2-dicarboxylate
CID 86325147
tert-butyl 2-hydroxypiperazine-1-carboxylate
CID 45358354
propan-2-yl 1-methylpiperazine-2-carboxylate
CID 175918084
tert-butyl 2-(methoxycarbamoyl)piperazine-1-carboxylate
CID 86654626

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(1-hydroxyethyl)piperazine-2-carboxylate?
The IUPAC name of tert-butyl 1-(1-hydroxyethyl)piperazine-2-carboxylate (CID 22480083) is tert-butyl 1-(1-hydroxyethyl)piperazine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-(1-hydroxyethyl)piperazine-2-carboxylate?
The canonical SMILES for tert-butyl 1-(1-hydroxyethyl)piperazine-2-carboxylate is CC(O)N1CCNCC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 1-(1-hydroxyethyl)piperazine-2-carboxylate?
The InChIKey is JQXXHBUAPBFIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(14)13-6-5-12-7-9(13)10(15)16-11(2,3)4/h8-9,12,14H,5-7H2,1-4H3.
What are the key properties of tert-butyl 1-(1-hydroxyethyl)piperazine-2-carboxylate?
tert-butyl 1-(1-hydroxyethyl)piperazine-2-carboxylate has a molecular weight of 230.31 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(1-hydroxyethyl)piperazine-2-carboxylate is sourced from PubChem (CID 22480083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).