tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate

C17H33N3O2 — CID 107254596

IUPACtert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate
SMILESCC1(CNC2CCC(N)C2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H33N3O2/c1-16(2,3)22-15(21)20-9-7-17(4,8-10-20)12-19-14-6-5-13(18)11-14/h13-14,19H,5-12,18H2,1-4H3
InChIKeyBOKKNPGXKHFOFF-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.49
Rot. Bonds3

About tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate (PubChem CID 107254596) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate
PubChem CID107254596
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Nametert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate
SMILESCC1(CNC2CCC(N)C2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H33N3O2/c1-16(2,3)22-15(21)20-9-7-17(4,8-10-20)12-19-14-6-5-13(18)11-14/h13-14,19H,5-12,18H2,1-4H3
InChIKeyBOKKNPGXKHFOFF-UHFFFAOYSA-N
XLogP2.49
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-methyl-4-[[(3-methylcyclobutyl)amino]methyl]piperidine-1-carboxylate
CID 104860280
tert-butyl 4-[[(4-aminocyclohexyl)amino]methyl]-4-methoxypiperidine-1-carboxylate
CID 114284292
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
tert-butyl 4-[[(1-methylcyclopropyl)methylamino]methyl]piperidine-1-carboxylate
CID 103766065
tert-butyl 4-methyl-4-[[(2-methylthian-3-yl)amino]methyl]piperidine-1-carboxylate
CID 107254571
tert-butyl 4-[[(1-methylcyclopentyl)methylamino]methyl]piperidine-1-carboxylate
CID 103730249
tert-butyl 3-[[(3-methoxycyclobutyl)amino]methyl]-3-methylpiperidine-1-carboxylate
CID 104872140
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl 4-[(2-ethylbutylamino)methyl]-4-methylpiperidine-1-carboxylate
CID 107254611
tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate
CID 103949364
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate (CID 107254596) is tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate is CC1(CNC2CCC(N)C2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate?
The InChIKey is BOKKNPGXKHFOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-16(2,3)22-15(21)20-9-7-17(4,8-10-20)12-19-14-6-5-13(18)11-14/h13-14,19H,5-12,18H2,1-4H3.
What are the key properties of tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate has a molecular weight of 311.47 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(3-aminocyclopentyl)amino]methyl]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 107254596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).