tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate

C15H31N3O2 — CID 107251060

IUPACtert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC1CCCN(C)C1
InChIInChI=1S/C15H31N3O2/c1-6-12(10-16-14(19)20-15(2,3)4)17-13-8-7-9-18(5)11-13/h12-13,17H,6-11H2,1-5H3,(H,16,19)
InChIKeyCZIGLHUUMNDEAA-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.97
Rot. Bonds5

About tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate

tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate (PubChem CID 107251060) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate
PubChem CID107251060
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nametert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC1CCCN(C)C1
InChIInChI=1S/C15H31N3O2/c1-6-12(10-16-14(19)20-15(2,3)4)17-13-8-7-9-18(5)11-13/h12-13,17H,6-11H2,1-5H3,(H,16,19)
InChIKeyCZIGLHUUMNDEAA-UHFFFAOYSA-N
XLogP1.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(1-methylpiperidin-3-yl)ethylamino]butyl]carbamate
CID 107250773
tert-butyl N-[2-cyclopropyl-2-[(1-methylpiperidin-3-yl)amino]ethyl]carbamate
CID 107251790
tert-butyl N-[4-methyl-2-[(1-methylpiperidin-3-yl)methylamino]pentyl]carbamate
CID 107252275
tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate
CID 107428869
tert-butyl N-[2-[(2-methylcyclohexyl)amino]butyl]carbamate
CID 107250925
tert-butyl N-[2-(cycloheptylamino)hexyl]carbamate
CID 107256430
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]butyl]carbamate
CID 107251355
tert-butyl N-[3-methyl-2-[[(1-methylpiperidin-3-yl)methylamino]methyl]butyl]carbamate
CID 107442090
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]pentyl]carbamate
CID 107253652
tert-butyl N-[2-[(2-tert-butylcyclohexyl)amino]butyl]carbamate
CID 107250829
tert-butyl N-[2-[(4-methylcycloheptyl)amino]pentyl]carbamate
CID 107253589
tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate
CID 107250927

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate (CID 107251060) is tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NC1CCCN(C)C1.
What is the InChIKey of tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate?
The InChIKey is CZIGLHUUMNDEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-6-12(10-16-14(19)20-15(2,3)4)17-13-8-7-9-18(5)11-13/h12-13,17H,6-11H2,1-5H3,(H,16,19).
What are the key properties of tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate?
tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate has a molecular weight of 285.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]butyl]carbamate is sourced from PubChem (CID 107251060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).