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

C19H31ClN2O4 — CID 2770649

IUPACethyl 4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride
SMILESCCCc1ccc(OCC(O)CN2CCN(C(=O)OCC)CC2)cc1.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-3-5-16-6-8-18(9-7-16)25-15-17(22)14-20-10-12-21(13-11-20)19(23)24-4-2;/h6-9,17,22H,3-5,10-15H2,1-2H3;1H
InChIKeyBATPWGHNOCLKOU-UHFFFAOYSA-N
MW386.92 g/mol
LogP2.57
Rot. Bonds8

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

ethyl 4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride (PubChem CID 2770649) has the molecular formula C19H31ClN2O4 and a molecular weight of 386.92 g/mol. Its IUPAC name is ethyl 4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride
PubChem CID2770649
Molecular FormulaC19H31ClN2O4
Molecular Weight386.92 g/mol
Exact Mass386.20
IUPAC Nameethyl 4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride
SMILESCCCc1ccc(OCC(O)CN2CCN(C(=O)OCC)CC2)cc1.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-3-5-16-6-8-18(9-7-16)25-15-17(22)14-20-10-12-21(13-11-20)19(23)24-4-2;/h6-9,17,22H,3-5,10-15H2,1-2H3;1H
InChIKeyBATPWGHNOCLKOU-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(2S)-2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]piperazine-1-carboxylate
CID 1039038
ethyl 4-[3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride
CID 44891568
ethyl 4-[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 7126214
1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 2769804
ethyl 4-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 885375
1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride
CID 21237668
1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride
CID 2769805
(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 753615
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-propylphenoxy)propan-2-ol;hydrochloride
CID 16806894
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride
CID 2770557
ethyl 4-[3-[2-(3,4-dimethylphenoxy)ethoxy]-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride
CID 16800328
ethyl 4-[3-(2-bromophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 4728847

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride (CID 2770649) is ethyl 4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride is CCCc1ccc(OCC(O)CN2CCN(C(=O)OCC)CC2)cc1.Cl.
What is the InChIKey of ethyl 4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride?
The InChIKey is BATPWGHNOCLKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4.ClH/c1-3-5-16-6-8-18(9-7-16)25-15-17(22)14-20-10-12-21(13-11-20)19(23)24-4-2;/h6-9,17,22H,3-5,10-15H2,1-2H3;1H.
What are the key properties of ethyl 4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride?
ethyl 4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 2.57, 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-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 2770649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).