piperidin-1-amine;piperidin-1-ylcarbamic acid

C11H24N4O2 — CID 173414027

IUPACpiperidin-1-amine;piperidin-1-ylcarbamic acid
SMILESNN1CCCCC1.O=C(O)NN1CCCCC1
InChIInChI=1S/C6H12N2O2.C5H12N2/c9-6(10)7-8-4-2-1-3-5-8;6-7-4-2-1-3-5-7/h7H,1-5H2,(H,9,10);1-6H2
InChIKeyQIICCGTYXCSKBI-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.00
Rot. Bonds1

About piperidin-1-amine;piperidin-1-ylcarbamic acid

piperidin-1-amine;piperidin-1-ylcarbamic acid (PubChem CID 173414027) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is piperidin-1-amine;piperidin-1-ylcarbamic acid.

Molecular Properties

Compound Namepiperidin-1-amine;piperidin-1-ylcarbamic acid
PubChem CID173414027
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Namepiperidin-1-amine;piperidin-1-ylcarbamic acid
SMILESNN1CCCCC1.O=C(O)NN1CCCCC1
InChIInChI=1S/C6H12N2O2.C5H12N2/c9-6(10)7-8-4-2-1-3-5-8;6-7-4-2-1-3-5-7/h7H,1-5H2,(H,9,10);1-6H2
InChIKeyQIICCGTYXCSKBI-UHFFFAOYSA-N
XLogP1.00
TPSA81.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-amine;piperidin-1-ylcarbamic acid?
The IUPAC name of piperidin-1-amine;piperidin-1-ylcarbamic acid (CID 173414027) is piperidin-1-amine;piperidin-1-ylcarbamic acid.
What is the SMILES notation for piperidin-1-amine;piperidin-1-ylcarbamic acid?
The canonical SMILES for piperidin-1-amine;piperidin-1-ylcarbamic acid is NN1CCCCC1.O=C(O)NN1CCCCC1.
What is the InChIKey of piperidin-1-amine;piperidin-1-ylcarbamic acid?
The InChIKey is QIICCGTYXCSKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C5H12N2/c9-6(10)7-8-4-2-1-3-5-8;6-7-4-2-1-3-5-7/h7H,1-5H2,(H,9,10);1-6H2.
What are the key properties of piperidin-1-amine;piperidin-1-ylcarbamic acid?
piperidin-1-amine;piperidin-1-ylcarbamic acid has a molecular weight of 244.34 g/mol, XLogP of 1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-amine;piperidin-1-ylcarbamic acid is sourced from PubChem (CID 173414027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).