tert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate

C17H32N2O3 — CID 177321217

IUPACtert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CCCC2CCNCC2)C1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-11-12-21-15(13-19)6-4-5-14-7-9-18-10-8-14/h14-15,18H,4-13H2,1-3H3
InChIKeyIQEGMILMGWMYTR-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.79
Rot. Bonds4

About tert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate

tert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate (PubChem CID 177321217) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate
PubChem CID177321217
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC(CCCC2CCNCC2)C1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-11-12-21-15(13-19)6-4-5-14-7-9-18-10-8-14/h14-15,18H,4-13H2,1-3H3
InChIKeyIQEGMILMGWMYTR-UHFFFAOYSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-tert-butyl N-((2R,3S)-2-(piperidin-4-yl)oxan-3-yl)carbamate
CID 125180940
Tert-butyl 3-(2-(piperidin-3-yloxy)ethyl)piperidine-1-carboxylate
CID 155937637
Tert-butyl 3-[2-(piperidin-4-yloxy)ethyl]piperidine-1-carboxylate
CID 165673908
Tert-butyl 3-[(piperidin-4-yl)methyl]morpholine-4-carboxylate
CID 165828253
tert-butyl (4S)-4-(cyclohexylmethyl)-2,2-dimethyl-5-[(2S)-3-methyl-2-(2-morpholin-4-ylethoxycarbonylamino)butyl]-1,3-oxazolidine-3-carboxylate
CID 70085174
2,2-Dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate
CID 123941695
(2-Methyl-5-piperidin-4-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate
CID 146609538
Tert-butyl 4-(5-amino-2-cyclohexylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 156280897
tert-butyl (3R)-3-(3-amino-5-cyclohexylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 156281035
tert-butyl (3R)-3-(3-amino-4-cyclopentylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 156302555
2-(2-Methyl-3-piperidin-4-ylpropyl)-4-(2-methylpropyl)morpholine
CID 156339250
[(5S)-2-methyl-5-(1-methylpiperidin-4-yl)hexan-2-yl] N-[2-[2-(2-methylpropanoylamino)ethoxy]ethyl]carbamate
CID 156515505

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate (CID 177321217) is tert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC(CCCC2CCNCC2)C1.
What is the InChIKey of tert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate?
The InChIKey is IQEGMILMGWMYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-11-12-21-15(13-19)6-4-5-14-7-9-18-10-8-14/h14-15,18H,4-13H2,1-3H3.
What are the key properties of tert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate?
tert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate has a molecular weight of 312.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate is sourced from PubChem (CID 177321217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).