tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate

C18H37N3O2 — CID 107254053

IUPACtert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)NC1CC(C)N(C)CC1C
InChIInChI=1S/C18H37N3O2/c1-12(2)16(10-19-17(22)23-18(5,6)7)20-15-9-14(4)21(8)11-13(15)3/h12-16,20H,9-11H2,1-8H3,(H,19,22)
InChIKeyBQEDRBAZXSJMCW-UHFFFAOYSA-N
MW327.51 g/mol
LogP2.85
Rot. Bonds5

About tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate

tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate (PubChem CID 107254053) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate
PubChem CID107254053
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Nametert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)NC1CC(C)N(C)CC1C
InChIInChI=1S/C18H37N3O2/c1-12(2)16(10-19-17(22)23-18(5,6)7)20-15-9-14(4)21(8)11-13(15)3/h12-16,20H,9-11H2,1-8H3,(H,19,22)
InChIKeyBQEDRBAZXSJMCW-UHFFFAOYSA-N
XLogP2.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]butan-2-yl]carbamate
CID 103901731
tert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate
CID 107254193
tert-butyl N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]cyclopropyl]carbamate
CID 107237764
tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248380
tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate
CID 107254098
N-(2,2-dimethyl-1-phenylpropyl)-1,2,5-trimethylpiperidin-4-amine
CID 43693331
tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate
CID 107254308
tert-butyl N-cyclopropyl-N-[2-[(1,2,5-trimethylpiperidin-4-yl)amino]ethyl]carbamate
CID 103780871
tert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate
CID 107254177
tert-butyl N-[3-methyl-2-[(2-propylpyrazol-3-yl)methylamino]butyl]carbamate
CID 107254264
tert-butyl N-[3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)amino]methyl]butyl]carbamate
CID 107442318
tert-butyl N-[(2R)-3-methyl-2-[(3-phenylmethoxyoxiran-2-yl)amino]butyl]carbamate
CID 138493239

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate (CID 107254053) is tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate is CC(C)C(CNC(=O)OC(C)(C)C)NC1CC(C)N(C)CC1C.
What is the InChIKey of tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate?
The InChIKey is BQEDRBAZXSJMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-12(2)16(10-19-17(22)23-18(5,6)7)20-15-9-14(4)21(8)11-13(15)3/h12-16,20H,9-11H2,1-8H3,(H,19,22).
What are the key properties of tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate?
tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate has a molecular weight of 327.51 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-2-[(1,2,5-trimethylpiperidin-4-yl)amino]butyl]carbamate is sourced from PubChem (CID 107254053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).