2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate

C10H20N2O3 — CID 79345346

IUPAC2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OCCO)CC1
InChIInChI=1S/C10H20N2O3/c1-9(2)11-3-5-12(6-4-11)10(14)15-8-7-13/h9,13H,3-8H2,1-2H3
InChIKeyFONMYNKMVINXRG-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.14
Rot. Bonds3

About 2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate

2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 79345346) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID79345346
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OCCO)CC1
InChIInChI=1S/C10H20N2O3/c1-9(2)11-3-5-12(6-4-11)10(14)15-8-7-13/h9,13H,3-8H2,1-2H3
InChIKeyFONMYNKMVINXRG-UHFFFAOYSA-N
XLogP0.14
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-propan-2-ylpiperazine-1-carboxylate
CID 59264587
2-hydroxyethyl thiomorpholine-4-carboxylate
CID 79345320
2-hydroxyethyl 4-[dimethylamino(propan-2-yloxy)phosphanyl]piperazine-1-carboxylate
CID 155764206
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid
CID 94396893
ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 145315809
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate
CID 169283749
2-hydroxyethyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
CID 79346575
2-hydroxyethyl 4,4-dimethylazepane-1-carboxylate
CID 79349080
2-hydroxyethyl 4-(diethylamino)piperidine-1-carboxylate
CID 79346546
2-methylpropyl 4-(1-cyanoethyl)piperazine-1-carboxylate
CID 63340810
butyl aziridine-1-carboxylate
CID 12641
3-amino-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 120502801

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of 2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate (CID 79345346) is 2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OCCO)CC1.
What is the InChIKey of 2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is FONMYNKMVINXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-9(2)11-3-5-12(6-4-11)10(14)15-8-7-13/h9,13H,3-8H2,1-2H3.
What are the key properties of 2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate?
2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 79345346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).