benzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate

C19H29N3O4 — CID 156856661

IUPACbenzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN([C@H](CO)CN2CCOCC2)CC1
InChIInChI=1S/C19H29N3O4/c23-15-18(14-20-10-12-25-13-11-20)21-6-8-22(9-7-21)19(24)26-16-17-4-2-1-3-5-17/h1-5,18,23H,6-16H2/t18-/m0/s1
InChIKeySTPYGPQLLPMGIM-SFHVURJKSA-N
MW363.46 g/mol
LogP0.63
Rot. Bonds6

About benzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate

benzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate (PubChem CID 156856661) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is benzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate
PubChem CID156856661
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Namebenzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN([C@H](CO)CN2CCOCC2)CC1
InChIInChI=1S/C19H29N3O4/c23-15-18(14-20-10-12-25-13-11-20)21-6-8-22(9-7-21)19(24)26-16-17-4-2-1-3-5-17/h1-5,18,23H,6-16H2/t18-/m0/s1
InChIKeySTPYGPQLLPMGIM-SFHVURJKSA-N
XLogP0.63
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 4-[(2S)-1-azido-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate
CID 156856720
benzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate
CID 156856737
benzyl 4-[(2S)-1-(4-methylpyrazol-1-yl)-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate
CID 156856746
benzyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
CID 166610780
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 69162546
benzyl 4-(3-oxopentan-2-yl)piperazine-1-carboxylate
CID 90862168
benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate
CID 70929123
benzyl piperidine-1-carboxylate
CID 158057698
benzyl 4-morpholin-4-yl-4-phenylpiperidine-1-carboxylate
CID 110637877
4-O-benzyl 1-O-[2-(oxan-4-yloxy)ethyl] piperazine-1,4-dicarboxylate
CID 58495785

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate (CID 156856661) is benzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN([C@H](CO)CN2CCOCC2)CC1.
What is the InChIKey of benzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate?
The InChIKey is STPYGPQLLPMGIM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H29N3O4/c23-15-18(14-20-10-12-25-13-11-20)21-6-8-22(9-7-21)19(24)26-16-17-4-2-1-3-5-17/h1-5,18,23H,6-16H2/t18-/m0/s1.
What are the key properties of benzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate?
benzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 156856661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).