tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate

C16H31N3O4 — CID 95635851

IUPACtert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C[C@H](O)CN2CCOCC2)CC1
InChIInChI=1S/C16H31N3O4/c1-16(2,3)23-15(21)19-6-4-17(5-7-19)12-14(20)13-18-8-10-22-11-9-18/h14,20H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyMWXRSUYPUGQAGB-AWEZNQCLSA-N
MW329.44 g/mol
LogP0.23
Rot. Bonds4

About tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate

tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate (PubChem CID 95635851) has the molecular formula C16H31N3O4 and a molecular weight of 329.44 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
PubChem CID95635851
Molecular FormulaC16H31N3O4
Molecular Weight329.44 g/mol
Exact Mass329.23
IUPAC Nametert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C[C@H](O)CN2CCOCC2)CC1
InChIInChI=1S/C16H31N3O4/c1-16(2,3)23-15(21)19-6-4-17(5-7-19)12-14(20)13-18-8-10-22-11-9-18/h14,20H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyMWXRSUYPUGQAGB-AWEZNQCLSA-N
XLogP0.23
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[(2S)-2-hydroxybutyl]piperazine-1-carboxylate
CID 124576249
tert-butyl 4-[(2R)-3-chloro-2-hydroxypropyl]piperazine-1-carboxylate
CID 66954028
ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
CID 56827922
tert-butyl 4-(4-amino-2-hydroxybutyl)piperazine-1-carboxylate
CID 82276947
tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate
CID 121437761
tert-butyl 4-(2-aminopropyl)piperazine-1-carboxylate
CID 53350324
tert-butyl 4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazine-1-carboxylate
CID 106992256
tert-butyl morpholine-4-carboxylate;propan-1-ol
CID 145379856
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 110899952
tert-butyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
CID 43251933
tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate
CID 121290195
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate (CID 95635851) is tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C[C@H](O)CN2CCOCC2)CC1.
What is the InChIKey of tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate?
The InChIKey is MWXRSUYPUGQAGB-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H31N3O4/c1-16(2,3)23-15(21)19-6-4-17(5-7-19)12-14(20)13-18-8-10-22-11-9-18/h14,20H,4-13H2,1-3H3/t14-/m0/s1.
What are the key properties of tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate?
tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate has a molecular weight of 329.44 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate is sourced from PubChem (CID 95635851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).