ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate

C19H30N2O6 — CID 1039020

IUPACethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C[C@@H](O)COCc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C19H30N2O6/c1-4-27-19(23)21-9-7-20(8-10-21)12-16(22)14-26-13-15-5-6-17(24-2)18(11-15)25-3/h5-6,11,16,22H,4,7-10,12-14H2,1-3H3/t16-/m1/s1
InChIKeyRSRWHRMNRKPZPP-MRXNPFEDSA-N
MW382.46 g/mol
LogP1.36
Rot. Bonds9

About ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate

ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate (PubChem CID 1039020) has the molecular formula C19H30N2O6 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate
PubChem CID1039020
Molecular FormulaC19H30N2O6
Molecular Weight382.46 g/mol
Exact Mass382.21
IUPAC Nameethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C[C@@H](O)COCc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C19H30N2O6/c1-4-27-19(23)21-9-7-20(8-10-21)12-16(22)14-26-13-15-5-6-17(24-2)18(11-15)25-3/h5-6,11,16,22H,4,7-10,12-14H2,1-3H3/t16-/m1/s1
InChIKeyRSRWHRMNRKPZPP-MRXNPFEDSA-N
XLogP1.36
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate with MolForge

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Related Compounds

1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537339
1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537341
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride
CID 46863744
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride
CID 2770557
1-[(3,4-dimethoxyphenyl)methoxy]-3-morpholin-4-ylpropan-2-ol
CID 2769761
(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 7329897
N-[1-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]benzamide
CID 24574365
methyl 4-[[3-[3-(azocan-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]piperazine-1-carboxylate
CID 172666073
ethyl 4-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 2906531
ethyl 4-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 885375
ethyl 4-[3-[2-(3,4-dimethylphenoxy)ethoxy]-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride
CID 16800328
ethyl 4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808927

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate (CID 1039020) is ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C[C@@H](O)COCc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate?
The InChIKey is RSRWHRMNRKPZPP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N2O6/c1-4-27-19(23)21-9-7-20(8-10-21)12-16(22)14-26-13-15-5-6-17(24-2)18(11-15)25-3/h5-6,11,16,22H,4,7-10,12-14H2,1-3H3/t16-/m1/s1.
What are the key properties of ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate?
ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 1.36, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate is sourced from PubChem (CID 1039020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).