ethyl 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxylate;hydrochloride

C13H27ClN2O4 — CID 16807156

IUPACethyl 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(CC(O)COC(C)C)CC1.Cl
InChIInChI=1S/C13H26N2O4.ClH/c1-4-18-13(17)15-7-5-14(6-8-15)9-12(16)10-19-11(2)3;/h11-12,16H,4-10H2,1-3H3;1H
InChIKeyFEYCHSBQIKFSBU-UHFFFAOYSA-N
MW310.82 g/mol
LogP0.97
Rot. Bonds6

About ethyl 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxylate;hydrochloride

ethyl 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxylate;hydrochloride (PubChem CID 16807156) has the molecular formula C13H27ClN2O4 and a molecular weight of 310.82 g/mol. Its IUPAC name is ethyl 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxylate;hydrochloride
PubChem CID16807156
Molecular FormulaC13H27ClN2O4
Molecular Weight310.82 g/mol
Exact Mass310.17
IUPAC Nameethyl 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(CC(O)COC(C)C)CC1.Cl
InChIInChI=1S/C13H26N2O4.ClH/c1-4-18-13(17)15-7-5-14(6-8-15)9-12(16)10-19-11(2)3;/h11-12,16H,4-10H2,1-3H3;1H
InChIKeyFEYCHSBQIKFSBU-UHFFFAOYSA-N
XLogP0.97
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxylate;hydrochloride (CID 16807156) is ethyl 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxylate;hydrochloride is CCOC(=O)N1CCN(CC(O)COC(C)C)CC1.Cl.
What is the InChIKey of ethyl 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxylate;hydrochloride?
The InChIKey is FEYCHSBQIKFSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4.ClH/c1-4-18-13(17)15-7-5-14(6-8-15)9-12(16)10-19-11(2)3;/h11-12,16H,4-10H2,1-3H3;1H.
What are the key properties of ethyl 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxylate;hydrochloride?
ethyl 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxylate;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-hydroxy-3-propan-2-yloxypropyl)piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 16807156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).