piperidin-4-ylmethyl carbamate

C7H14N2O2 — CID 19787931

IUPACpiperidin-4-ylmethyl carbamate
SMILESNC(=O)OCC1CCNCC1
InChIInChI=1S/C7H14N2O2/c8-7(10)11-5-6-1-3-9-4-2-6/h6,9H,1-5H2,(H2,8,10)
InChIKeyJMIDSOKOEHWPQW-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.08
Rot. Bonds2

About piperidin-4-ylmethyl carbamate

piperidin-4-ylmethyl carbamate (PubChem CID 19787931) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is piperidin-4-ylmethyl carbamate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl carbamate
PubChem CID19787931
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namepiperidin-4-ylmethyl carbamate
SMILESNC(=O)OCC1CCNCC1
InChIInChI=1S/C7H14N2O2/c8-7(10)11-5-6-1-3-9-4-2-6/h6,9H,1-5H2,(H2,8,10)
InChIKeyJMIDSOKOEHWPQW-UHFFFAOYSA-N
XLogP0.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl carbamate?
The IUPAC name of piperidin-4-ylmethyl carbamate (CID 19787931) is piperidin-4-ylmethyl carbamate.
What is the SMILES notation for piperidin-4-ylmethyl carbamate?
The canonical SMILES for piperidin-4-ylmethyl carbamate is NC(=O)OCC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethyl carbamate?
The InChIKey is JMIDSOKOEHWPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-7(10)11-5-6-1-3-9-4-2-6/h6,9H,1-5H2,(H2,8,10).
What are the key properties of piperidin-4-ylmethyl carbamate?
piperidin-4-ylmethyl carbamate has a molecular weight of 158.20 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl carbamate is sourced from PubChem (CID 19787931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).