tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate

C13H26N2O3 — CID 129370784

IUPACtert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate
SMILESCOC[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O3/c1-11(10-17-5)14-6-8-15(9-7-14)12(16)18-13(2,3)4/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyGGMQLYPTEVWKBG-NSHDSACASA-N
MW258.36 g/mol
LogP1.57
Rot. Bonds3

About tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate

tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate (PubChem CID 129370784) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate
PubChem CID129370784
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate
SMILESCOC[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O3/c1-11(10-17-5)14-6-8-15(9-7-14)12(16)18-13(2,3)4/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyGGMQLYPTEVWKBG-NSHDSACASA-N
XLogP1.57
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate
CID 70034747
tert-butyl 4-[(2R)-1-cyanopropan-2-yl]piperazine-1-carboxylate
CID 94920093
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-(1-fluoroethyl)piperazine-1-carboxylate
CID 53421985
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CID 103711034
tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate
CID 106992256
tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate
CID 102205627
tert-butyl 4-(1,3-dichloropropan-2-yl)piperazine-1-carboxylate
CID 155146596
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
1-O-tert-butyl 4-O-(1-methoxypropan-2-yl) piperidine-1,4-dicarboxylate
CID 68535093

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate (CID 129370784) is tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate is COC[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate?
The InChIKey is GGMQLYPTEVWKBG-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(10-17-5)14-6-8-15(9-7-14)12(16)18-13(2,3)4/h11H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 129370784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).