piperidine;piperidin-1-ylcarbamic acid

C11H23N3O2 — CID 174049201

IUPACpiperidine;piperidin-1-ylcarbamic acid
SMILESC1CCNCC1.O=C(O)NN1CCCCC1
InChIInChI=1S/C6H12N2O2.C5H11N/c9-6(10)7-8-4-2-1-3-5-8;1-2-4-6-5-3-1/h7H,1-5H2,(H,9,10);6H,1-5H2
InChIKeyYLTMDZPHHLQWRW-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.41
Rot. Bonds1

About piperidine;piperidin-1-ylcarbamic acid

piperidine;piperidin-1-ylcarbamic acid (PubChem CID 174049201) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is piperidine;piperidin-1-ylcarbamic acid.

Molecular Properties

Compound Namepiperidine;piperidin-1-ylcarbamic acid
PubChem CID174049201
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Namepiperidine;piperidin-1-ylcarbamic acid
SMILESC1CCNCC1.O=C(O)NN1CCCCC1
InChIInChI=1S/C6H12N2O2.C5H11N/c9-6(10)7-8-4-2-1-3-5-8;1-2-4-6-5-3-1/h7H,1-5H2,(H,9,10);6H,1-5H2
InChIKeyYLTMDZPHHLQWRW-UHFFFAOYSA-N
XLogP1.41
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidine;piperidin-1-ylcarbamic acid?
The IUPAC name of piperidine;piperidin-1-ylcarbamic acid (CID 174049201) is piperidine;piperidin-1-ylcarbamic acid.
What is the SMILES notation for piperidine;piperidin-1-ylcarbamic acid?
The canonical SMILES for piperidine;piperidin-1-ylcarbamic acid is C1CCNCC1.O=C(O)NN1CCCCC1.
What is the InChIKey of piperidine;piperidin-1-ylcarbamic acid?
The InChIKey is YLTMDZPHHLQWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C5H11N/c9-6(10)7-8-4-2-1-3-5-8;1-2-4-6-5-3-1/h7H,1-5H2,(H,9,10);6H,1-5H2.
What are the key properties of piperidine;piperidin-1-ylcarbamic acid?
piperidine;piperidin-1-ylcarbamic acid has a molecular weight of 229.32 g/mol, XLogP of 1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;piperidin-1-ylcarbamic acid is sourced from PubChem (CID 174049201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).