tert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate

C16H31N3O3 — CID 107249542

IUPACtert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1CNCC1CCCNC1
InChIInChI=1S/C16H31N3O3/c1-16(2,3)22-15(20)19-7-8-21-12-14(19)11-18-10-13-5-4-6-17-9-13/h13-14,17-18H,4-12H2,1-3H3
InChIKeyRAVVXMULZIUKNW-UHFFFAOYSA-N
MW313.44 g/mol
LogP1.21
Rot. Bonds4

About tert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate

tert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate (PubChem CID 107249542) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is tert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate
PubChem CID107249542
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Nametert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC1CNCC1CCCNC1
InChIInChI=1S/C16H31N3O3/c1-16(2,3)22-15(20)19-7-8-21-12-14(19)11-18-10-13-5-4-6-17-9-13/h13-14,17-18H,4-12H2,1-3H3
InChIKeyRAVVXMULZIUKNW-UHFFFAOYSA-N
XLogP1.21
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 103896929
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
CID 107249604
tert-butyl 2-[(piperidin-4-ylmethylamino)methyl]piperidine-1-carboxylate
CID 107246835
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107249666
tert-butyl 3-[(thian-3-ylamino)methyl]morpholine-4-carboxylate
CID 107249529
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
tert-butyl 3-[[(3,3-dimethylcyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107249543
tert-butyl 2-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244402
tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107249570
tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107249690

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate (CID 107249542) is tert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOCC1CNCC1CCCNC1.
What is the InChIKey of tert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate?
The InChIKey is RAVVXMULZIUKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-16(2,3)22-15(20)19-7-8-21-12-14(19)11-18-10-13-5-4-6-17-9-13/h13-14,17-18H,4-12H2,1-3H3.
What are the key properties of tert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate?
tert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate has a molecular weight of 313.44 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(piperidin-3-ylmethylamino)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 107249542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).