benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate

C15H22N2O4 — CID 166610780

IUPACbenzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(CC(O)CO)CC1
InChIInChI=1S/C15H22N2O4/c18-11-14(19)10-16-6-8-17(9-7-16)15(20)21-12-13-4-2-1-3-5-13/h1-5,14,18-19H,6-12H2
InChIKeyHLAWREPEFUASCJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.29
Rot. Bonds5

About benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate

benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate (PubChem CID 166610780) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
PubChem CID166610780
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namebenzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(CC(O)CO)CC1
InChIInChI=1S/C15H22N2O4/c18-11-14(19)10-16-6-8-17(9-7-16)15(20)21-12-13-4-2-1-3-5-13/h1-5,14,18-19H,6-12H2
InChIKeyHLAWREPEFUASCJ-UHFFFAOYSA-N
XLogP0.29
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 69162546
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate
CID 156856661
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate chloride
CID 46863744
ethyl 4-(2-hydroxy-3-phenylmethoxypropyl)piperazine-1-carboxylate;hydrochloride
CID 2770557
benzyl 4-(2-hydroxyethyl)-1,4-diazepane-1-carboxylate
CID 63308848
benzyl 4-(2-methylsulfonyloxypropyl)piperazine-1-carboxylate
CID 86651906
benzyl 4-(2,2-dimethylpropyl)piperazine-1-carboxylate
CID 110290734
benzyl 4-(3-oxopentan-2-yl)piperazine-1-carboxylate
CID 90862168
benzyl piperidine-1-carboxylate
CID 158057698
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxycarbonylpiperazin-1-yl)propanoic acid
CID 171652265

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate (CID 166610780) is benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(CC(O)CO)CC1.
What is the InChIKey of benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate?
The InChIKey is HLAWREPEFUASCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-11-14(19)10-16-6-8-17(9-7-16)15(20)21-12-13-4-2-1-3-5-13/h1-5,14,18-19H,6-12H2.
What are the key properties of benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate?
benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate is sourced from PubChem (CID 166610780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).