tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate

C14H28N2O3 — CID 124907642

IUPACtert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate
SMILESC[C@H](CCCO)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-12(6-5-11-17)15-7-9-16(10-8-15)13(18)19-14(2,3)4/h12,17H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyDCBGXRFNFJIHFN-GFCCVEGCSA-N
MW272.39 g/mol
LogP1.70
Rot. Bonds4

About tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate

tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate (PubChem CID 124907642) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate
PubChem CID124907642
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate
SMILESC[C@H](CCCO)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H28N2O3/c1-12(6-5-11-17)15-7-9-16(10-8-15)13(18)19-14(2,3)4/h12,17H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyDCBGXRFNFJIHFN-GFCCVEGCSA-N
XLogP1.70
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 4-[(2R)-1-cyanopropan-2-yl]piperazine-1-carboxylate
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tert-butyl 4-(1-fluoroethyl)piperazine-1-carboxylate
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tert-butyl 4-(4-ethoxy-4-oxobutan-2-yl)-1,4-diazepane-1-carboxylate
CID 104933575
tert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate
CID 172803875
tert-butyl 4-but-3-yn-2-yl-1,4-diazepane-1-carboxylate
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tert-butyl 4-(3-hydroxy-1-phenylpropyl)piperazine-1-carboxylate
CID 142661174
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate (CID 124907642) is tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate is C[C@H](CCCO)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate?
The InChIKey is DCBGXRFNFJIHFN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-12(6-5-11-17)15-7-9-16(10-8-15)13(18)19-14(2,3)4/h12,17H,5-11H2,1-4H3/t12-/m1/s1.
What are the key properties of tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 124907642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).