piperidin-4-yl N-propylcarbamate

C9H18N2O2 — CID 79338098

IUPACpiperidin-4-yl N-propylcarbamate
SMILESCCCNC(=O)OC1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-2-5-11-9(12)13-8-3-6-10-7-4-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyRPWGXUWBUAJLLV-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.87
Rot. Bonds3

About piperidin-4-yl N-propylcarbamate

piperidin-4-yl N-propylcarbamate (PubChem CID 79338098) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is piperidin-4-yl N-propylcarbamate.

Molecular Properties

Compound Namepiperidin-4-yl N-propylcarbamate
PubChem CID79338098
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namepiperidin-4-yl N-propylcarbamate
SMILESCCCNC(=O)OC1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-2-5-11-9(12)13-8-3-6-10-7-4-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyRPWGXUWBUAJLLV-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl N-propylcarbamate?
The IUPAC name of piperidin-4-yl N-propylcarbamate (CID 79338098) is piperidin-4-yl N-propylcarbamate.
What is the SMILES notation for piperidin-4-yl N-propylcarbamate?
The canonical SMILES for piperidin-4-yl N-propylcarbamate is CCCNC(=O)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl N-propylcarbamate?
The InChIKey is RPWGXUWBUAJLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-5-11-9(12)13-8-3-6-10-7-4-8/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of piperidin-4-yl N-propylcarbamate?
piperidin-4-yl N-propylcarbamate has a molecular weight of 186.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl N-propylcarbamate is sourced from PubChem (CID 79338098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).