2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

C11H22N2O3 — CID 43393114

IUPAC2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H22N2O3/c1-10(2)9-16-11(15)13-5-3-12(4-6-13)7-8-14/h10,14H,3-9H2,1-2H3
InChIKeyRAAMPJJECSQCIA-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.39
Rot. Bonds4

About 2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate (PubChem CID 43393114) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
PubChem CID43393114
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H22N2O3/c1-10(2)9-16-11(15)13-5-3-12(4-6-13)7-8-14/h10,14H,3-9H2,1-2H3
InChIKeyRAAMPJJECSQCIA-UHFFFAOYSA-N
XLogP0.39
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 4-prop-2-ynylpiperazine-1-carboxylate
CID 58860505
ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108522953
2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
CID 43252434
2-methylpropyl 4-iodopiperazine-1-carboxylate
CID 155242434
2-methylpropyl 4-[3-[tert-butyl(methyl)amino]-3-oxopropyl]piperazine-1-carboxylate
CID 163940579
2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 63373740
2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate
CID 78803248
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
2-methylpropyl 4-(1-cyanoethyl)piperazine-1-carboxylate
CID 63340810
2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride
CID 70625672
2-methylpropyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate
CID 68835926

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate (CID 43393114) is 2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate?
The InChIKey is RAAMPJJECSQCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2)9-16-11(15)13-5-3-12(4-6-13)7-8-14/h10,14H,3-9H2,1-2H3.
What are the key properties of 2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate?
2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate is sourced from PubChem (CID 43393114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).