piperidin-4-ylcarbamic acid

C6H12N2O2 — CID 19787930

IUPACpiperidin-4-ylcarbamic acid
SMILESO=C(O)NC1CCNCC1
InChIInChI=1S/C6H12N2O2/c9-6(10)8-5-1-3-7-4-2-5/h5,7-8H,1-4H2,(H,9,10)
InChIKeyKBOGICFUPOMDKS-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.01
Rot. Bonds1

About piperidin-4-ylcarbamic acid

piperidin-4-ylcarbamic acid (PubChem CID 19787930) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is piperidin-4-ylcarbamic acid.

Molecular Properties

Compound Namepiperidin-4-ylcarbamic acid
PubChem CID19787930
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Namepiperidin-4-ylcarbamic acid
SMILESO=C(O)NC1CCNCC1
InChIInChI=1S/C6H12N2O2/c9-6(10)8-5-1-3-7-4-2-5/h5,7-8H,1-4H2,(H,9,10)
InChIKeyKBOGICFUPOMDKS-UHFFFAOYSA-N
XLogP0.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylcarbamic acid?
The IUPAC name of piperidin-4-ylcarbamic acid (CID 19787930) is piperidin-4-ylcarbamic acid.
What is the SMILES notation for piperidin-4-ylcarbamic acid?
The canonical SMILES for piperidin-4-ylcarbamic acid is O=C(O)NC1CCNCC1.
What is the InChIKey of piperidin-4-ylcarbamic acid?
The InChIKey is KBOGICFUPOMDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c9-6(10)8-5-1-3-7-4-2-5/h5,7-8H,1-4H2,(H,9,10).
What are the key properties of piperidin-4-ylcarbamic acid?
piperidin-4-ylcarbamic acid has a molecular weight of 144.17 g/mol, XLogP of 0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylcarbamic acid is sourced from PubChem (CID 19787930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).