tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate

C18H37N3O2 — CID 103097056

IUPACtert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate
SMILESCC(C)C(C)(CNC(=O)OC(C)(C)C)NCC1CCN(C)CC1
InChIInChI=1S/C18H37N3O2/c1-14(2)18(6,13-19-16(22)23-17(3,4)5)20-12-15-8-10-21(7)11-9-15/h14-15,20H,8-13H2,1-7H3,(H,19,22)
InChIKeyKHCATSUDPWRACB-UHFFFAOYSA-N
MW327.51 g/mol
LogP2.86
Rot. Bonds6

About tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate

tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate (PubChem CID 103097056) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate
PubChem CID103097056
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Nametert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate
SMILESCC(C)C(C)(CNC(=O)OC(C)(C)C)NCC1CCN(C)CC1
InChIInChI=1S/C18H37N3O2/c1-14(2)18(6,13-19-16(22)23-17(3,4)5)20-12-15-8-10-21(7)11-9-15/h14-15,20H,8-13H2,1-7H3,(H,19,22)
InChIKeyKHCATSUDPWRACB-UHFFFAOYSA-N
XLogP2.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate
CID 107252614
tert-butyl N-[(1-methylpiperidin-4-yl)methylamino]carbamate
CID 107237353
tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
CID 20801241
tert-butyl N-[(6-fluoro-1-methylazepan-4-yl)methyl]carbamate
CID 91578087
tert-butyl N-[[2-[(1-methylpiperidin-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695749
tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate
CID 107252640
tert-butyl N-[2-[[N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]carbamimidoyl]amino]ethyl]carbamate
CID 111884169
tert-butyl 4-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]piperidine-1-carboxylate
CID 103730170
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
2-methyl-2-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 114999323
tert-butyl N-[3-methyl-2-[[(1-methylpiperidin-3-yl)methylamino]methyl]butyl]carbamate
CID 107442090
tert-butyl 4-[[2-(tert-butylamino)ethylamino]methyl]piperidine-1-carboxylate
CID 107446306

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate (CID 103097056) is tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate is CC(C)C(C)(CNC(=O)OC(C)(C)C)NCC1CCN(C)CC1.
What is the InChIKey of tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate?
The InChIKey is KHCATSUDPWRACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-14(2)18(6,13-19-16(22)23-17(3,4)5)20-12-15-8-10-21(7)11-9-15/h14-15,20H,8-13H2,1-7H3,(H,19,22).
What are the key properties of tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate?
tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate has a molecular weight of 327.51 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate is sourced from PubChem (CID 103097056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).