tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate

C14H28N2O3 — CID 154945211

IUPACtert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate
SMILESCC1CN([C@H](C)CO)CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-10-7-15(12(3)9-17)8-11(2)16(10)13(18)19-14(4,5)6/h10-12,17H,7-9H2,1-6H3/t10?,11?,12-/m1/s1
InChIKeyMJOCRTXZKSPKLI-HTAVTVPLSA-N
MW272.39 g/mol
LogP1.70
Rot. Bonds2

About tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate

tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate (PubChem CID 154945211) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate
PubChem CID154945211
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate
SMILESCC1CN([C@H](C)CO)CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-10-7-15(12(3)9-17)8-11(2)16(10)13(18)19-14(4,5)6/h10-12,17H,7-9H2,1-6H3/t10?,11?,12-/m1/s1
InChIKeyMJOCRTXZKSPKLI-HTAVTVPLSA-N
XLogP1.70
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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

tert-butyl (2S,6R)-4-(cyanomethyl)-2,6-dimethylpiperazine-1-carboxylate
CID 121316996
tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate
CID 166542546
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
tert-butyl (3R,5S)-3,5-dimethyl-4-(2-methylpropanoyl)piperazine-1-carboxylate
CID 169045086
tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
CID 67823358
tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate
CID 150912932
tert-butyl (2S,6S)-4-(5-methoxypentanoyl)-2,6-dimethylpiperazine-1-carboxylate
CID 124559593
tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate
CID 129258263
tert-butyl (2S,3R)-3-(hydroxymethyl)-2-methylazetidine-1-carboxylate
CID 140904862
tert-butyl 2,4,6,8-tetramethyl-5-oxoazocane-1-carboxylate
CID 123266281
tert-butyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate
CID 10563052
tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate
CID 70034747

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate (CID 154945211) is tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate is CC1CN([C@H](C)CO)CC(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is MJOCRTXZKSPKLI-HTAVTVPLSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10-7-15(12(3)9-17)8-11(2)16(10)13(18)19-14(4,5)6/h10-12,17H,7-9H2,1-6H3/t10?,11?,12-/m1/s1.
What are the key properties of tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate?
tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 154945211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).