tert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine

C28H52N4O7 — CID 160790756

IUPACtert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine
SMILESC1COCCN1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C14H26N2O3.C10H17NO3.C4H9NO/c1-14(2,3)19-13(17)16-6-4-12(5-7-16)15-8-10-18-11-9-15;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-3-6-4-2-5-1/h12H,4-11H2,1-3H3;4-7H2,1-3H3;5H,1-4H2
InChIKeySBUIULRLTSNLEZ-UHFFFAOYSA-N
MW556.75 g/mol
LogP2.91
Rot. Bonds1

About tert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine

tert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine (PubChem CID 160790756) has the molecular formula C28H52N4O7 and a molecular weight of 556.75 g/mol. Its IUPAC name is tert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine.

Molecular Properties

Compound Nametert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine
PubChem CID160790756
Molecular FormulaC28H52N4O7
Molecular Weight556.75 g/mol
Exact Mass556.38
IUPAC Nametert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine
SMILESC1COCCN1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C14H26N2O3.C10H17NO3.C4H9NO/c1-14(2,3)19-13(17)16-6-4-12(5-7-16)15-8-10-18-11-9-15;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-3-6-4-2-5-1/h12H,4-11H2,1-3H3;4-7H2,1-3H3;5H,1-4H2
InChIKeySBUIULRLTSNLEZ-UHFFFAOYSA-N
XLogP2.91
TPSA109.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;3,3-difluoropiperidine;hydrochloride
CID 158263445
Tert-butyl 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;3,3-difluoropiperidine;methane;hydrochloride
CID 158536579
Tert-butyl 4-oxopiperidine-1-carboxylate;fluoroform;formic acid;methane;morpholine;4-piperidin-4-ylmorpholine;2,2,2-trifluoroacetic acid
CID 161654744
tert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 23540253
Tert-butyl 4-[3-(morpholin-4-ylcarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 57955742
tert-butyl (3R)-3-(morpholine-4-carbonyl)-1-piperidin-4-ylpiperidin-1-ium-1-carboxylate
CID 88018710
Tert-butyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;4-methoxypiperidine;4-methoxy-1-piperidin-4-ylpiperidine
CID 157517180
Tert-butyl 4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 157677756
Tert-butyl 2,2,3,3,5,5,6,6-octadeuterio-4-oxopiperidine-1-carboxylate;tert-butyl 2,2,6,6-tetradeuterio-4-oxopiperidine-1-carboxylate;tert-butyl 3,3,5,5-tetradeuterio-4-oxopiperidine-1-carboxylate;2,2,3,3,5,5,6,6-octadeuteriomorpholine;2,2,6,6-tetradeuteriomorpholine;3,3,5,5-tetradeuteriomorpholine
CID 158347217
tert-butyl 4-[1-[(2S)-butan-2-yl]piperidin-4-yl]oxypiperidine-1-carboxylate;tert-butyl 4-piperidin-4-yloxypiperidine-1-carboxylate
CID 158462065
Tert-butyl 4-oxopiperidine-1-carboxylate;tert-butyl 4-piperidin-1-ylpiperidine-1-carboxylate;piperidine;1-piperidin-4-ylpiperidine
CID 158473776
Ethyl carbonochloridate;ethyl 4-morpholin-4-ylpiperidine-1-carboxylate;4-piperidin-4-ylmorpholine
CID 158741128

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine?
The IUPAC name of tert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine (CID 160790756) is tert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine.
What is the SMILES notation for tert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine?
The canonical SMILES for tert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine is C1COCCN1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of tert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine?
The InChIKey is SBUIULRLTSNLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.C10H17NO3.C4H9NO/c1-14(2,3)19-13(17)16-6-4-12(5-7-16)15-8-10-18-11-9-15;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-3-6-4-2-5-1/h12H,4-11H2,1-3H3;4-7H2,1-3H3;5H,1-4H2.
What are the key properties of tert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine?
tert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine has a molecular weight of 556.75 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;morpholine is sourced from PubChem (CID 160790756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).