tert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine

C37H70N6O8 — CID 159905864

IUPACtert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine
SMILESC1CNCC(N2CCOCC2)C1.C1COCCN1.CC(C)(C)OC(=O)N1CCCC(=O)C1.CC(C)(C)OC(=O)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C14H26N2O3.C10H17NO3.C9H18N2O.C4H9NO/c1-14(2,3)19-13(17)16-6-4-5-12(11-16)15-7-9-18-10-8-15;1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;1-2-9(8-10-3-1)11-4-6-12-7-5-11;1-3-6-4-2-5-1/h12H,4-11H2,1-3H3;4-7H2,1-3H3;9-10H,1-8H2;5H,1-4H2
InChIKeyNWOGANBEYJZIBN-UHFFFAOYSA-N
MW727.00 g/mol
LogP2.98
Rot. Bonds2

About tert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine

tert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine (PubChem CID 159905864) has the molecular formula C37H70N6O8 and a molecular weight of 727.00 g/mol. Its IUPAC name is tert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine.

Molecular Properties

Compound Nametert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine
PubChem CID159905864
Molecular FormulaC37H70N6O8
Molecular Weight727.00 g/mol
Exact Mass726.53
IUPAC Nametert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine
SMILESC1CNCC(N2CCOCC2)C1.C1COCCN1.CC(C)(C)OC(=O)N1CCCC(=O)C1.CC(C)(C)OC(=O)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C14H26N2O3.C10H17NO3.C9H18N2O.C4H9NO/c1-14(2,3)19-13(17)16-6-4-5-12(11-16)15-7-9-18-10-8-15;1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;1-2-9(8-10-3-1)11-4-6-12-7-5-11;1-3-6-4-2-5-1/h12H,4-11H2,1-3H3;4-7H2,1-3H3;9-10H,1-8H2;5H,1-4H2
InChIKeyNWOGANBEYJZIBN-UHFFFAOYSA-N
XLogP2.98
TPSA134.38 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.00
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Launch Full Analysis

Related Compounds

Tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine
CID 158201420
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-tert-butylpiperazine-1-carboxylate;4-tert-butylmorpholine;1-tert-butylpiperidine;2,6-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-4-propan-2-ylmorpholine;3-methyl-4-propan-2-ylmorpholine;1-propan-2-ylpiperazine
CID 158957433
Tert-butyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-piperazin-1-ylethanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol
CID 159364933
tert-butyl 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2R,6S)-2,6-dimethylmorpholine;(2R,6S)-2,6-dimethyl-4-piperidin-4-ylmorpholine
CID 159456950
Tert-butyl 3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate;methane;2-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid;2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;morpholine
CID 159578613
1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride
CID 159911179
Tert-butyl 4-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;methanol;2-(4-piperidin-4-ylpiperazin-1-yl)ethanol;2-[4-(1-piperidin-4-ylpiperidin-4-yl)piperazin-1-yl]ethanol
CID 159978876
Tert-butyl 4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;1-(oxetan-3-yl)piperazine;1-(oxetan-3-yl)-4-piperidin-4-ylpiperazine
CID 160612267
Tert-butyl 4-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;1-(2-morpholin-4-ylethyl)piperazin-2-one
CID 161590560
Tert-butyl 4-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-(2-morpholin-4-ylethyl)piperazin-2-one
CID 161948695
Tert-butyl 4-(2-propan-2-yloxyethyl)piperazine-1-carboxylate;1,2-dimethyl-4-(2-propan-2-yloxyethyl)piperazine;1-ethyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;4-(2-propan-2-yloxyethyl)morpholine;1-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1,2,6-trimethyl-4-(2-propan-2-yloxyethyl)piperazine
CID 162030896

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine?
The IUPAC name of tert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine (CID 159905864) is tert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine.
What is the SMILES notation for tert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine?
The canonical SMILES for tert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine is C1CNCC(N2CCOCC2)C1.C1COCCN1.CC(C)(C)OC(=O)N1CCCC(=O)C1.CC(C)(C)OC(=O)N1CCCC(N2CCOCC2)C1.
What is the InChIKey of tert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine?
The InChIKey is NWOGANBEYJZIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.C10H17NO3.C9H18N2O.C4H9NO/c1-14(2,3)19-13(17)16-6-4-5-12(11-16)15-7-9-18-10-8-15;1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;1-2-9(8-10-3-1)11-4-6-12-7-5-11;1-3-6-4-2-5-1/h12H,4-11H2,1-3H3;4-7H2,1-3H3;9-10H,1-8H2;5H,1-4H2.
What are the key properties of tert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine?
tert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine has a molecular weight of 727.00 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine is sourced from PubChem (CID 159905864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).