tert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate

C16H33N3O2 — CID 103781210

IUPACtert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate
SMILESCC1CC(NCCCN(C)C(=O)OC(C)(C)C)CCN1C
InChIInChI=1S/C16H33N3O2/c1-13-12-14(8-11-18(13)5)17-9-7-10-19(6)15(20)21-16(2,3)4/h13-14,17H,7-12H2,1-6H3
InChIKeyXSBSRICMPOBDGE-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.32
Rot. Bonds5

About tert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate

tert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate (PubChem CID 103781210) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is tert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate
PubChem CID103781210
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Nametert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate
SMILESCC1CC(NCCCN(C)C(=O)OC(C)(C)C)CCN1C
InChIInChI=1S/C16H33N3O2/c1-13-12-14(8-11-18(13)5)17-9-7-10-19(6)15(20)21-16(2,3)4/h13-14,17H,7-12H2,1-6H3
InChIKeyXSBSRICMPOBDGE-UHFFFAOYSA-N
XLogP2.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate (CID 103781210) is tert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate is CC1CC(NCCCN(C)C(=O)OC(C)(C)C)CCN1C.
What is the InChIKey of tert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate?
The InChIKey is XSBSRICMPOBDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-13-12-14(8-11-18(13)5)17-9-7-10-19(6)15(20)21-16(2,3)4/h13-14,17H,7-12H2,1-6H3.
What are the key properties of tert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate?
tert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate has a molecular weight of 299.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(1,2-dimethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate is sourced from PubChem (CID 103781210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).