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

C17H27ClN2O4 — CID 2770557

IUPACethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(CC(O)COCc2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-2-23-17(21)19-10-8-18(9-11-19)12-16(20)14-22-13-15-6-4-3-5-7-15;/h3-7,16,20H,2,8-14H2,1H3;1H
InChIKeyXWGZZBWMESLIGX-UHFFFAOYSA-N
MW358.87 g/mol
LogP1.76
Rot. Bonds7

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

ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride (PubChem CID 2770557) has the molecular formula C17H27ClN2O4 and a molecular weight of 358.87 g/mol. Its IUPAC name is ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride
PubChem CID2770557
Molecular FormulaC17H27ClN2O4
Molecular Weight358.87 g/mol
Exact Mass358.17
IUPAC Nameethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride
SMILESCCOC(=O)N1CCN(CC(O)COCc2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-2-23-17(21)19-10-8-18(9-11-19)12-16(20)14-22-13-15-6-4-3-5-7-15;/h3-7,16,20H,2,8-14H2,1H3;1H
InChIKeyXWGZZBWMESLIGX-UHFFFAOYSA-N
XLogP1.76
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride
CID 46863744
tert-butyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate
CID 102417588
1-[4-(2-hydroxy-3-phenylmethoxypropyl)-1,4-diazepan-1-yl]ethanone
CID 17471466
ethyl 4-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperazine-1-carboxylate
CID 1039020
benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
CID 166610780
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
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-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride (CID 2770557) is ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride is CCOC(=O)N1CCN(CC(O)COCc2ccccc2)CC1.Cl.
What is the InChIKey of ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride?
The InChIKey is XWGZZBWMESLIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4.ClH/c1-2-23-17(21)19-10-8-18(9-11-19)12-16(20)14-22-13-15-6-4-3-5-7-15;/h3-7,16,20H,2,8-14H2,1H3;1H.
What are the key properties of ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride?
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 1.76, 7 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-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 2770557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).