tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate

C17H32N2O3 — CID 103949364

IUPACtert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate
SMILESCC1(CNC2CCCN(C(=O)OC(C)(C)C)C2)CCOCC1
InChIInChI=1S/C17H32N2O3/c1-16(2,3)22-15(20)19-9-5-6-14(12-19)18-13-17(4)7-10-21-11-8-17/h14,18H,5-13H2,1-4H3
InChIKeyFYTDKJUFHSBXFI-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.79
Rot. Bonds3

About tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate

tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate (PubChem CID 103949364) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate
PubChem CID103949364
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate
SMILESCC1(CNC2CCCN(C(=O)OC(C)(C)C)C2)CCOCC1
InChIInChI=1S/C17H32N2O3/c1-16(2,3)22-15(20)19-9-5-6-14(12-19)18-13-17(4)7-10-21-11-8-17/h14,18H,5-13H2,1-4H3
InChIKeyFYTDKJUFHSBXFI-UHFFFAOYSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

tert-butyl (3S)-3-(oxan-4-ylmethylamino)piperidine-1-carboxylate
CID 84592299
tert-butyl 3-[(1-ethylcyclopropyl)methylamino]piperidine-1-carboxylate
CID 103949341
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate
CID 104705076
tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate
CID 53256460
tert-butyl (3R)-3-(prop-2-ynylamino)azepane-1-carboxylate
CID 164579162
tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311884
tert-butyl 3-(4-hydroxybutylamino)piperidine-1-carboxylate
CID 106840867
tert-butyl (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311882
tert-butyl 3-(2-carbamoyloxyethylamino)piperidine-1-carboxylate
CID 83211355
tert-butyl 3-[2-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 167013141
tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate
CID 103949538

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate (CID 103949364) is tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate is CC1(CNC2CCCN(C(=O)OC(C)(C)C)C2)CCOCC1.
What is the InChIKey of tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is FYTDKJUFHSBXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-16(2,3)22-15(20)19-9-5-6-14(12-19)18-13-17(4)7-10-21-11-8-17/h14,18H,5-13H2,1-4H3.
What are the key properties of tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate?
tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 312.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 103949364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).