methyl N-(3-piperidin-4-yloxypropyl)carbamate

C10H20N2O3 — CID 63871088

IUPACmethyl N-(3-piperidin-4-yloxypropyl)carbamate
SMILESCOC(=O)NCCCOC1CCNCC1
InChIInChI=1S/C10H20N2O3/c1-14-10(13)12-5-2-8-15-9-3-6-11-7-4-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyZUBMZTCHRDMYTQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.50
Rot. Bonds5

About methyl N-(3-piperidin-4-yloxypropyl)carbamate

methyl N-(3-piperidin-4-yloxypropyl)carbamate (PubChem CID 63871088) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl N-(3-piperidin-4-yloxypropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-piperidin-4-yloxypropyl)carbamate
PubChem CID63871088
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl N-(3-piperidin-4-yloxypropyl)carbamate
SMILESCOC(=O)NCCCOC1CCNCC1
InChIInChI=1S/C10H20N2O3/c1-14-10(13)12-5-2-8-15-9-3-6-11-7-4-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyZUBMZTCHRDMYTQ-UHFFFAOYSA-N
XLogP0.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
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 methyl N-(3-piperidin-4-yloxypropyl)carbamate?
The IUPAC name of methyl N-(3-piperidin-4-yloxypropyl)carbamate (CID 63871088) is methyl N-(3-piperidin-4-yloxypropyl)carbamate.
What is the SMILES notation for methyl N-(3-piperidin-4-yloxypropyl)carbamate?
The canonical SMILES for methyl N-(3-piperidin-4-yloxypropyl)carbamate is COC(=O)NCCCOC1CCNCC1.
What is the InChIKey of methyl N-(3-piperidin-4-yloxypropyl)carbamate?
The InChIKey is ZUBMZTCHRDMYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-14-10(13)12-5-2-8-15-9-3-6-11-7-4-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of methyl N-(3-piperidin-4-yloxypropyl)carbamate?
methyl N-(3-piperidin-4-yloxypropyl)carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-piperidin-4-yloxypropyl)carbamate is sourced from PubChem (CID 63871088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).