4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide

C11H23N3O2 — CID 58525046

IUPAC4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESCC(C)(C)N1CCN(C(=O)NCCO)CC1
InChIInChI=1S/C11H23N3O2/c1-11(2,3)14-7-5-13(6-8-14)10(16)12-4-9-15/h15H,4-9H2,1-3H3,(H,12,16)
InChIKeyHWHJWPHTBOHEAC-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.10
Rot. Bonds2

About 4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide

4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide (PubChem CID 58525046) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide
PubChem CID58525046
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESCC(C)(C)N1CCN(C(=O)NCCO)CC1
InChIInChI=1S/C11H23N3O2/c1-11(2,3)14-7-5-13(6-8-14)10(16)12-4-9-15/h15H,4-9H2,1-3H3,(H,12,16)
InChIKeyHWHJWPHTBOHEAC-UHFFFAOYSA-N
XLogP0.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-methylpiperazine-1-carboxamide
CID 59788280
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4-tert-butyl-N-[2-(3-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113110302
1-(4-tert-butylpiperazin-1-yl)ethanone
CID 20580594
1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one
CID 79191284
4-(2,2-dimethylpropanoyl)-N-propylpiperazine-1-carboxamide
CID 110810662
N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
CID 16758
N-butylaziridine-1-carboxamide
CID 55206947
3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one
CID 61430295
4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108387
2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 63680684
tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate
CID 108864367

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide (CID 58525046) is 4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide is CC(C)(C)N1CCN(C(=O)NCCO)CC1.
What is the InChIKey of 4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide?
The InChIKey is HWHJWPHTBOHEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(2,3)14-7-5-13(6-8-14)10(16)12-4-9-15/h15H,4-9H2,1-3H3,(H,12,16).
What are the key properties of 4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide?
4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 58525046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).