tert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate

C18H34N2O3 — CID 126842158

IUPACtert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate
SMILESCOC1CCN(CC2CCN(C(=O)OC(C)(C)C)C(C)C2)CC1
InChIInChI=1S/C18H34N2O3/c1-14-12-15(13-19-9-7-16(22-5)8-10-19)6-11-20(14)17(21)23-18(2,3)4/h14-16H,6-13H2,1-5H3
InChIKeyUKMVEIHXNNMDAA-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.13
Rot. Bonds3

About tert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate

tert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate (PubChem CID 126842158) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate
PubChem CID126842158
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate
SMILESCOC1CCN(CC2CCN(C(=O)OC(C)(C)C)C(C)C2)CC1
InChIInChI=1S/C18H34N2O3/c1-14-12-15(13-19-9-7-16(22-5)8-10-19)6-11-20(14)17(21)23-18(2,3)4/h14-16H,6-13H2,1-5H3
InChIKeyUKMVEIHXNNMDAA-UHFFFAOYSA-N
XLogP3.13
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-ethoxy-2-oxoethyl)-2-methylpiperidine-1-carboxylate
CID 119029033
tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318
tert-butyl 4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylate;tert-butyl 4-(2-methoxyethyl)-2-methylpiperidine-1-carboxylate;iodomethane;methane
CID 158098307
tert-butyl (2S)-4-iodo-2-methylpiperidine-1-carboxylate
CID 175815373
tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate
CID 102268017
(2R,4R)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 155921104
ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate
CID 164564582
tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate
CID 119029022
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
tert-butyl (2R,4S)-4-ethynyl-2-methylpiperidine-1-carboxylate
CID 125425976
tert-butyl 4-(hydroxymethyl)-2-(methoxymethyl)piperidine-1-carboxylate
CID 172691809
tert-butyl (2R)-4-cyano-2-methylpiperidine-1-carboxylate
CID 155905122

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate (CID 126842158) is tert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate is COC1CCN(CC2CCN(C(=O)OC(C)(C)C)C(C)C2)CC1.
What is the InChIKey of tert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate?
The InChIKey is UKMVEIHXNNMDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-14-12-15(13-19-9-7-16(22-5)8-10-19)6-11-20(14)17(21)23-18(2,3)4/h14-16H,6-13H2,1-5H3.
What are the key properties of tert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate?
tert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 126842158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).