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

C17H26ClN2O4- — CID 46863744

IUPACethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride
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/p-1
InChIKeyXWGZZBWMESLIGX-UHFFFAOYSA-M
MW357.86 g/mol
LogP-1.66
Rot. Bonds7

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

ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride (PubChem CID 46863744) has the molecular formula C17H26ClN2O4- and a molecular weight of 357.86 g/mol. Its IUPAC name is ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride.

Molecular Properties

Compound Nameethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride
PubChem CID46863744
Molecular FormulaC17H26ClN2O4-
Molecular Weight357.86 g/mol
Exact Mass357.16
IUPAC Nameethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride
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/p-1
InChIKeyXWGZZBWMESLIGX-UHFFFAOYSA-M
XLogP-1.66
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 5-1.66
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-phenylmethoxypropyl)piperazine-1-carboxylate chloride?
The IUPAC name of ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride (CID 46863744) is ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride.
What is the SMILES notation for ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride?
The canonical SMILES for ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride is CCOC(=O)N1CCN(CC(O)COCc2ccccc2)CC1.[Cl-].
What is the InChIKey of ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride?
The InChIKey is XWGZZBWMESLIGX-UHFFFAOYSA-M. 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/p-1.
What are the key properties of ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride?
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride has a molecular weight of 357.86 g/mol, XLogP of -1.66, 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 chloride is sourced from PubChem (CID 46863744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).