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

C17H26N2O4 — CID 2770558

IUPACethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(O)COCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O4/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
InChIKeyKQXJHNCMKCMCOA-UHFFFAOYSA-N
MW322.40 g/mol
LogP1.34
Rot. Bonds7

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

ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate (PubChem CID 2770558) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate
PubChem CID2770558
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Nameethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(O)COCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O4/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
InChIKeyKQXJHNCMKCMCOA-UHFFFAOYSA-N
XLogP1.34
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.34
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?
The IUPAC name of ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate (CID 2770558) is ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(O)COCc2ccccc2)CC1.
What is the InChIKey of ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate?
The InChIKey is KQXJHNCMKCMCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/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.
What are the key properties of ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate?
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate has a molecular weight of 322.40 g/mol, XLogP of 1.34, 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 is sourced from PubChem (CID 2770558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).