piperidin-4-yl N-propan-2-ylcarbamate

C9H18N2O2 — CID 20735409

IUPACpiperidin-4-yl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-7(2)11-9(12)13-8-3-5-10-6-4-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyVBXRPRKZRVKKLC-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.87
Rot. Bonds2

About piperidin-4-yl N-propan-2-ylcarbamate

piperidin-4-yl N-propan-2-ylcarbamate (PubChem CID 20735409) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is piperidin-4-yl N-propan-2-ylcarbamate.

Molecular Properties

Compound Namepiperidin-4-yl N-propan-2-ylcarbamate
PubChem CID20735409
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namepiperidin-4-yl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-7(2)11-9(12)13-8-3-5-10-6-4-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyVBXRPRKZRVKKLC-UHFFFAOYSA-N
XLogP0.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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-propan-2-ylcarbamate?
The IUPAC name of piperidin-4-yl N-propan-2-ylcarbamate (CID 20735409) is piperidin-4-yl N-propan-2-ylcarbamate.
What is the SMILES notation for piperidin-4-yl N-propan-2-ylcarbamate?
The canonical SMILES for piperidin-4-yl N-propan-2-ylcarbamate is CC(C)NC(=O)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl N-propan-2-ylcarbamate?
The InChIKey is VBXRPRKZRVKKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)11-9(12)13-8-3-5-10-6-4-8/h7-8,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of piperidin-4-yl N-propan-2-ylcarbamate?
piperidin-4-yl N-propan-2-ylcarbamate has a molecular weight of 186.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl N-propan-2-ylcarbamate is sourced from PubChem (CID 20735409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).