tert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate

C18H35N3O2 — CID 107255145

IUPACtert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate
SMILESCC1CC(NCC2CCCN(C)C2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35N3O2/c1-14-11-16(19-12-15-7-6-9-20(5)13-15)8-10-21(14)17(22)23-18(2,3)4/h14-16,19H,6-13H2,1-5H3
InChIKeyOPUJKSPNIGTELC-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.71
Rot. Bonds3

About tert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate

tert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate (PubChem CID 107255145) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate
PubChem CID107255145
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate
SMILESCC1CC(NCC2CCCN(C)C2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H35N3O2/c1-14-11-16(19-12-15-7-6-9-20(5)13-15)8-10-21(14)17(22)23-18(2,3)4/h14-16,19H,6-13H2,1-5H3
InChIKeyOPUJKSPNIGTELC-UHFFFAOYSA-N
XLogP2.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-methyl-4-(piperidin-4-ylmethylamino)piperidine-1-carboxylate
CID 107255197
tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
CID 107095247
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
tert-butyl 2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 103748317
tert-butyl 2-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 103782669
tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate
CID 107094439
tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
CID 96995948
tert-butyl 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]piperidine-1-carboxylate
CID 107095292
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate
CID 107256757
tert-butyl 3-[(cyclopent-3-en-1-ylamino)methyl]piperidine-1-carboxylate
CID 115696340
3-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclopentan-1-amine
CID 64502172

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate (CID 107255145) is tert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate is CC1CC(NCC2CCCN(C)C2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is OPUJKSPNIGTELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-14-11-16(19-12-15-7-6-9-20(5)13-15)8-10-21(14)17(22)23-18(2,3)4/h14-16,19H,6-13H2,1-5H3.
What are the key properties of tert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate?
tert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 325.50 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 107255145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).