tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate

C18H35N3O3 — CID 114284326

IUPACtert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate
SMILESCOC1(CNC2CC(C)N(C)C2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H35N3O3/c1-14-11-15(12-20(14)5)19-13-18(23-6)7-9-21(10-8-18)16(22)24-17(2,3)4/h14-15,19H,7-13H2,1-6H3
InChIKeyPIBKSYHJPBZBJG-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.08
Rot. Bonds4

About tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate

tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate (PubChem CID 114284326) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate
PubChem CID114284326
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Nametert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate
SMILESCOC1(CNC2CC(C)N(C)C2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H35N3O3/c1-14-11-15(12-20(14)5)19-13-18(23-6)7-9-21(10-8-18)16(22)24-17(2,3)4/h14-15,19H,7-13H2,1-6H3
InChIKeyPIBKSYHJPBZBJG-UHFFFAOYSA-N
XLogP2.08
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate
CID 114284292
tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate
CID 104860280
tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate
CID 81467364
tert-butyl 2-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 103782669
tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate
CID 104705076
tert-butyl 4-(cyanomethyl)-4-methoxypiperidine-1-carboxylate
CID 101392924
tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate
CID 146609548
tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate
CID 83990962
tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107254596
tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate
CID 83996404
tert-butyl 4-(bromomethyl)-4-(2-methoxyethoxy)piperidine-1-carboxylate
CID 114773138
1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate
CID 67487447

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate (CID 114284326) is tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate is COC1(CNC2CC(C)N(C)C2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate?
The InChIKey is PIBKSYHJPBZBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-14-11-15(12-20(14)5)19-13-18(23-6)7-9-21(10-8-18)16(22)24-17(2,3)4/h14-15,19H,7-13H2,1-6H3.
What are the key properties of tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate?
tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate has a molecular weight of 341.50 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 114284326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).