tert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate

C14H27N3O3 — CID 170749015

IUPACtert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N2CCN(CCO)CC2)C1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)17-10-12(11-17)16-6-4-15(5-7-16)8-9-18/h12,18H,4-11H2,1-3H3
InChIKeyXPEAKSXFUTWIJN-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.22
Rot. Bonds3

About tert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate

tert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate (PubChem CID 170749015) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate
PubChem CID170749015
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N2CCN(CCO)CC2)C1
InChIInChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)17-10-12(11-17)16-6-4-15(5-7-16)8-9-18/h12,18H,4-11H2,1-3H3
InChIKeyXPEAKSXFUTWIJN-UHFFFAOYSA-N
XLogP0.22
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl 3-(3-hydroxy-3-methylazetidin-1-yl)azetidine-1-carboxylate
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tert-butyl 5-(2-hydroxyethyl)-1,2,5-oxadiazepane-2-carboxylate
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tert-butyl 4-[1-(2-methylsulfonyloxyethyl)azetidin-3-yl]piperazine-1-carboxylate
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tert-butyl 3-[3-(aminomethyl)azetidin-1-yl]azetidine-1-carboxylate
CID 129317740
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tert-butyl 3-[(3R)-3-aminopyrrolidin-1-yl]azetidine-1-carboxylate
CID 130748145
tert-butyl 4-(3,3-dimethylbutyl)piperazine-1-carboxylate;ethane
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tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
tert-butyl (7R,9aR)-7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 22940599
tert-butyl 4-(6-aminohexyl)piperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate (CID 170749015) is tert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(N2CCN(CCO)CC2)C1.
What is the InChIKey of tert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate?
The InChIKey is XPEAKSXFUTWIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)17-10-12(11-17)16-6-4-15(5-7-16)8-9-18/h12,18H,4-11H2,1-3H3.
What are the key properties of tert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate?
tert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]azetidine-1-carboxylate is sourced from PubChem (CID 170749015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).