tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate

C12H24N2O3 — CID 50987509

IUPACtert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate
SMILESCC(CO)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O3/c1-10(9-15)13-5-7-14(8-6-13)11(16)17-12(2,3)4/h10,15H,5-9H2,1-4H3
InChIKeyOLQYUDUDNCDQPU-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.92
Rot. Bonds2

About tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate

tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate (PubChem CID 50987509) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate
PubChem CID50987509
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate
SMILESCC(CO)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O3/c1-10(9-15)13-5-7-14(8-6-13)11(16)17-12(2,3)4/h10,15H,5-9H2,1-4H3
InChIKeyOLQYUDUDNCDQPU-UHFFFAOYSA-N
XLogP0.92
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 735736
tert-Butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate
CID 24820286
Ethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 228934
1-Boc-4-(3-hydroxypropyl)piperazine
CID 16217800
(S)-Tert-butyl 3-(hydroxymethyl)morpholine-4-carboxylate
CID 1514266
tert-Butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate
CID 1514267
Tert-butyl 3-(hydroxymethyl)morpholine-4-carboxylate
CID 5058359
tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylate
CID 11106786
4-N-Boc-2-hydroxymethylpiperazine
CID 22386508
(S)-1-Boc-2-hydroxymethyl-piperazine
CID 22884145
(R)-2-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester
CID 24820219
tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate
CID 24820294

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate (CID 50987509) is tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate is CC(CO)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate?
The InChIKey is OLQYUDUDNCDQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(9-15)13-5-7-14(8-6-13)11(16)17-12(2,3)4/h10,15H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 50987509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).