propan-2-yl N-(1-piperidin-4-ylpropyl)carbamate

C12H24N2O2 — CID 71286738

IUPACpropan-2-yl N-(1-piperidin-4-ylpropyl)carbamate
SMILESCCC(NC(=O)OC(C)C)C1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-4-11(10-5-7-13-8-6-10)14-12(15)16-9(2)3/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeySJUIZYHRVBYBJQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.90
Rot. Bonds4

About propan-2-yl N-(1-piperidin-4-ylpropyl)carbamate

propan-2-yl N-(1-piperidin-4-ylpropyl)carbamate (PubChem CID 71286738) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is propan-2-yl N-(1-piperidin-4-ylpropyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1-piperidin-4-ylpropyl)carbamate
PubChem CID71286738
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namepropan-2-yl N-(1-piperidin-4-ylpropyl)carbamate
SMILESCCC(NC(=O)OC(C)C)C1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-4-11(10-5-7-13-8-6-10)14-12(15)16-9(2)3/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeySJUIZYHRVBYBJQ-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(1-piperidin-4-ylpropyl)carbamate?
The IUPAC name of propan-2-yl N-(1-piperidin-4-ylpropyl)carbamate (CID 71286738) is propan-2-yl N-(1-piperidin-4-ylpropyl)carbamate.
What is the SMILES notation for propan-2-yl N-(1-piperidin-4-ylpropyl)carbamate?
The canonical SMILES for propan-2-yl N-(1-piperidin-4-ylpropyl)carbamate is CCC(NC(=O)OC(C)C)C1CCNCC1.
What is the InChIKey of propan-2-yl N-(1-piperidin-4-ylpropyl)carbamate?
The InChIKey is SJUIZYHRVBYBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-11(10-5-7-13-8-6-10)14-12(15)16-9(2)3/h9-11,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of propan-2-yl N-(1-piperidin-4-ylpropyl)carbamate?
propan-2-yl N-(1-piperidin-4-ylpropyl)carbamate has a molecular weight of 228.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(1-piperidin-4-ylpropyl)carbamate is sourced from PubChem (CID 71286738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).