tert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate

C17H33N3O2 — CID 59773384

IUPACtert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate
SMILESCN1CCC(N2CCC(CNC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)18-13-14-5-11-20(12-6-14)15-7-9-19(4)10-8-15/h14-15H,5-13H2,1-4H3,(H,18,21)
InChIKeyKUHQGGIOKVVOEF-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.32
Rot. Bonds3

About tert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate (PubChem CID 59773384) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate
PubChem CID59773384
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Nametert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate
SMILESCN1CCC(N2CCC(CNC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)18-13-14-5-11-20(12-6-14)15-7-9-19(4)10-8-15/h14-15H,5-13H2,1-4H3,(H,18,21)
InChIKeyKUHQGGIOKVVOEF-UHFFFAOYSA-N
XLogP2.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate (CID 59773384) is tert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate is CN1CCC(N2CCC(CNC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate?
The InChIKey is KUHQGGIOKVVOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-17(2,3)22-16(21)18-13-14-5-11-20(12-6-14)15-7-9-19(4)10-8-15/h14-15H,5-13H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate has a molecular weight of 311.47 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 59773384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).