tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate

C13H26N2O3 — CID 70034747

IUPACtert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate
SMILESC[C@H](CCO)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O3/c1-11(5-10-16)14-6-8-15(9-7-14)12(17)18-13(2,3)4/h11,16H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyWZRBHPYNYZVMAN-LLVKDONJSA-N
MW258.36 g/mol
LogP1.31
Rot. Bonds3

About tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate

tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate (PubChem CID 70034747) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate
PubChem CID70034747
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate
SMILESC[C@H](CCO)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O3/c1-11(5-10-16)14-6-8-15(9-7-14)12(17)18-13(2,3)4/h11,16H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyWZRBHPYNYZVMAN-LLVKDONJSA-N
XLogP1.31
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate
CID 124907642
tert-butyl 4-hexan-2-ylpiperazine-1-carboxylate
CID 134516807
tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate
CID 129370784
tert-butyl 4-[(2R)-1-cyanopropan-2-yl]piperazine-1-carboxylate
CID 94920093
tert-butyl 3-[1-(4-hydroxybutan-2-yl)piperidin-3-yl]azetidine-1-carboxylate
CID 170985310
tert-butyl 4-(1-fluoroethyl)piperazine-1-carboxylate
CID 53421985
tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate
CID 142661174
tert-butyl 4-(1,3-dichloropropan-2-yl)piperazine-1-carboxylate
CID 155146596
tert-butyl 4-(4-hydroxybutan-2-ylamino)piperidine-1-carboxylate
CID 79692176
tert-butyl 4-[(5Z)-1-hydroxyocta-5,7-dien-3-yl]piperazine-1-carboxylate
CID 88890750
tert-butyl 4-(4-ethoxy-4-oxobutan-2-yl)-1,4-diazepane-1-carboxylate
CID 104933575
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CID 172803875

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate (CID 70034747) is tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate is C[C@H](CCO)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate?
The InChIKey is WZRBHPYNYZVMAN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(5-10-16)14-6-8-15(9-7-14)12(17)18-13(2,3)4/h11,16H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 70034747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).