tert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate

C16H25N3O3 — CID 82045302

IUPACtert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(O)c2ccccn2)CC1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)19-10-8-18(9-11-19)12-14(20)13-6-4-5-7-17-13/h4-7,14,20H,8-12H2,1-3H3
InChIKeyREOGZPRCJOEGAI-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.67
Rot. Bonds3

About tert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate

tert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate (PubChem CID 82045302) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate
PubChem CID82045302
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(O)c2ccccn2)CC1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)19-10-8-18(9-11-19)12-14(20)13-6-4-5-7-17-13/h4-7,14,20H,8-12H2,1-3H3
InChIKeyREOGZPRCJOEGAI-UHFFFAOYSA-N
XLogP1.67
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-hydroxy-2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 82216623
tert-butyl 4-[2-(3-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 56771184
tert-butyl 4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175773
2-[4-(2-methylphenyl)piperazin-1-yl]-1-pyridin-2-ylethanol
CID 20980348
tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate
CID 178151027
tert-butyl 4-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 56771178
tert-butyl 4-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxylate
CID 54595637
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
tert-butyl 4-[(2R)-3-chloro-2-hydroxypropyl]piperazine-1-carboxylate
CID 66954028
tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate
CID 102417588
tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 53350324
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-[(1S)-1-pyridin-2-ylethyl]piperazine-2-carboxylic acid
CID 129460310

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate (CID 82045302) is tert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC(O)c2ccccn2)CC1.
What is the InChIKey of tert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate?
The InChIKey is REOGZPRCJOEGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)19-10-8-18(9-11-19)12-14(20)13-6-4-5-7-17-13/h4-7,14,20H,8-12H2,1-3H3.
What are the key properties of tert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate?
tert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxy-2-pyridin-2-ylethyl)piperazine-1-carboxylate is sourced from PubChem (CID 82045302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).