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

C19H31ClN2O4 — CID 6603413

IUPACethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(CC(O)COC(CC)c2ccccc2)CC1.Cl
InChIInChI=1S/C19H30N2O4.ClH/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;1H
InChIKeyGWXDHBINNOGOEC-UHFFFAOYSA-N
MW386.92 g/mol
LogP2.71
Rot. Bonds8

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

ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate;hydrochloride (PubChem CID 6603413) has the molecular formula C19H31ClN2O4 and a molecular weight of 386.92 g/mol. Its IUPAC name is ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate;hydrochloride
PubChem CID6603413
Molecular FormulaC19H31ClN2O4
Molecular Weight386.92 g/mol
Exact Mass386.20
IUPAC Nameethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(CC(O)COC(CC)c2ccccc2)CC1.Cl
InChIInChI=1S/C19H30N2O4.ClH/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;1H
InChIKeyGWXDHBINNOGOEC-UHFFFAOYSA-N
XLogP2.71
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 52.71
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;hydrochloride?
The IUPAC name of ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate;hydrochloride (CID 6603413) is ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate;hydrochloride is CCOC(=O)N1CCN(CC(O)COC(CC)c2ccccc2)CC1.Cl.
What is the InChIKey of ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate;hydrochloride?
The InChIKey is GWXDHBINNOGOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4.ClH/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;1H.
What are the key properties of ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate;hydrochloride?
ethyl 4-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperazine-1-carboxylate;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 2.71, 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;hydrochloride is sourced from PubChem (CID 6603413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).