tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate

C18H35N3O3 — CID 114284292

IUPACtert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate
SMILESCOC1(CNC2CCC(N)CC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H35N3O3/c1-17(2,3)24-16(22)21-11-9-18(23-4,10-12-21)13-20-15-7-5-14(19)6-8-15/h14-15,20H,5-13,19H2,1-4H3
InChIKeyYPHPRGPLJOYHHA-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.26
Rot. Bonds4

About tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate

tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate (PubChem CID 114284292) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate
PubChem CID114284292
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Nametert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate
SMILESCOC1(CNC2CCC(N)CC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H35N3O3/c1-17(2,3)24-16(22)21-11-9-18(23-4,10-12-21)13-20-15-7-5-14(19)6-8-15/h14-15,20H,5-13,19H2,1-4H3
InChIKeyYPHPRGPLJOYHHA-UHFFFAOYSA-N
XLogP2.26
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]-4-methoxypiperidine-1-carboxylate
CID 114284326
tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107254596
tert-butyl 3-[(3-methoxyoxolan-3-yl)methylamino]pyrrolidine-1-carboxylate
CID 104705076
tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate
CID 104860280
tert-butyl 4-(cyanomethyl)-4-methoxypiperidine-1-carboxylate
CID 101392924
tert-butyl 4-[(4-aminocyclohexyl)amino]azepane-1-carboxylate
CID 103982002
tert-butyl 4-amino-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 86276716
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
tert-butyl 4-[(2,2-dimethylpropanoylamino)methyl]-4-fluoropiperidine-1-carboxylate
CID 165433830
tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
CID 22730796
tert-butyl 4-(prop-2-ynylamino)piperidine-1-carboxylate
CID 43652133
tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate (CID 114284292) is tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate is COC1(CNC2CCC(N)CC2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate?
The InChIKey is YPHPRGPLJOYHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-17(2,3)24-16(22)21-11-9-18(23-4,10-12-21)13-20-15-7-5-14(19)6-8-15/h14-15,20H,5-13,19H2,1-4H3.
What are the key properties of tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate?
tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate has a molecular weight of 341.50 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 114284292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).