ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate

C19H30N2O4 — CID 3241662

IUPACethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(O)COC(CC)c2ccccc2)CC1
InChIInChI=1S/C19H30N2O4/c1-3-18(16-8-6-5-7-9-16)25-15-17(22)14-20-10-12-21(13-11-20)19(23)24-4-2/h5-9,17-18,22H,3-4,10-15H2,1-2H3
InChIKeyFUWGNFQICRJZSI-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.29
Rot. Bonds8

About ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate

ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate (PubChem CID 3241662) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate
PubChem CID3241662
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Nameethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(O)COC(CC)c2ccccc2)CC1
InChIInChI=1S/C19H30N2O4/c1-3-18(16-8-6-5-7-9-16)25-15-17(22)14-20-10-12-21(13-11-20)19(23)24-4-2/h5-9,17-18,22H,3-4,10-15H2,1-2H3
InChIKeyFUWGNFQICRJZSI-UHFFFAOYSA-N
XLogP2.29
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.29
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-(1-phenylpropoxy)propyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate (CID 3241662) is ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(O)COC(CC)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate?
The InChIKey is FUWGNFQICRJZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-3-18(16-8-6-5-7-9-16)25-15-17(22)14-20-10-12-21(13-11-20)19(23)24-4-2/h5-9,17-18,22H,3-4,10-15H2,1-2H3.
What are the key properties of ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate?
ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 2.29, 8 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-(1-phenylpropoxy)propyl]piperazine-1-carboxylate is sourced from PubChem (CID 3241662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).