tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate

C16H25N3O3 — CID 141417890

IUPACtert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCc2ccc(N)nc2)CC1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-8-6-13(7-9-19)21-11-12-4-5-14(17)18-10-12/h4-5,10,13H,6-9,11H2,1-3H3,(H2,17,18)
InChIKeyIWTYDDUACXHDGU-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.58
Rot. Bonds3

About tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate

tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate (PubChem CID 141417890) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate
PubChem CID141417890
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCc2ccc(N)nc2)CC1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-8-6-13(7-9-19)21-11-12-4-5-14(17)18-10-12/h4-5,10,13H,6-9,11H2,1-3H3,(H2,17,18)
InChIKeyIWTYDDUACXHDGU-UHFFFAOYSA-N
XLogP2.58
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 19796267
tert-butyl 4-[(5-chloropyrazin-2-yl)methoxy]piperidine-1-carboxylate
CID 89148934
tert-butyl 4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methoxy]piperidine-1-carboxylate
CID 59504710
tert-butyl 4-[2-(6-amino-3-pyridinyl)ethynyl]piperidine-1-carboxylate
CID 169087118
tert-butyl 4-[(5-ethyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 134497281
tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate
CID 171082503
tert-butyl 3-[(4-phenylphenyl)methoxy]pyrrolidine-1-carboxylate
CID 68530859
tert-butyl 4-[(2-amino-5-chloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 170715808
tert-butyl 3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidine-1-carboxylate;propane
CID 166100670
tert-butyl 3-[(4-nitrophenyl)methoxy]pyrrolidine-1-carboxylate
CID 67240772
tert-butyl 4-[[5-(4-aminophenyl)-1,2,4-oxadiazol-3-yl]methoxy]piperidine-1-carboxylate
CID 89127589
tert-butyl 4-[[3-(3,4-dimethoxybenzoyl)phenyl]methoxy]piperidine-1-carboxylate
CID 140923020

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate (CID 141417890) is tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCc2ccc(N)nc2)CC1.
What is the InChIKey of tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate?
The InChIKey is IWTYDDUACXHDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-8-6-13(7-9-19)21-11-12-4-5-14(17)18-10-12/h4-5,10,13H,6-9,11H2,1-3H3,(H2,17,18).
What are the key properties of tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate?
tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(6-amino-3-pyridinyl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 141417890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).