piperidin-1-ium;N-piperidin-1-ylcarbamate

C11H23N3O2 — CID 139618603

IUPACpiperidin-1-ium;N-piperidin-1-ylcarbamate
SMILESC1CC[NH2+]CC1.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
LogP-0.95
Rot. Bonds1

About piperidin-1-ium;N-piperidin-1-ylcarbamate

piperidin-1-ium;N-piperidin-1-ylcarbamate (PubChem CID 139618603) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is piperidin-1-ium;N-piperidin-1-ylcarbamate.

Molecular Properties

Compound Namepiperidin-1-ium;N-piperidin-1-ylcarbamate
PubChem CID139618603
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Namepiperidin-1-ium;N-piperidin-1-ylcarbamate
SMILESC1CC[NH2+]CC1.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
XLogP-0.95
TPSA72.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidine;piperidin-1-ium;carbamate
CID 19375390
piperidin-1-ylazanium;N-piperidin-1-ylcarbamate
CID 20494788
piperidine;piperidin-1-ylcarbamothioic S-acid
CID 21428311
piperidin-1-yl N-piperidin-1-ylcarbamate
CID 57271004
Piperidin-1-amine;piperidin-1-ylcarbamic acid
CID 173414027
Piperidine;piperidin-1-ylcarbamic acid
CID 174049201

Frequently Asked Questions

What is the IUPAC name of piperidin-1-ium;N-piperidin-1-ylcarbamate?
The IUPAC name of piperidin-1-ium;N-piperidin-1-ylcarbamate (CID 139618603) is piperidin-1-ium;N-piperidin-1-ylcarbamate.
What is the SMILES notation for piperidin-1-ium;N-piperidin-1-ylcarbamate?
The canonical SMILES for piperidin-1-ium;N-piperidin-1-ylcarbamate is C1CC[NH2+]CC1.O=C([O-])NN1CCCCC1.
What is the InChIKey of piperidin-1-ium;N-piperidin-1-ylcarbamate?
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 piperidin-1-ium;N-piperidin-1-ylcarbamate?
piperidin-1-ium;N-piperidin-1-ylcarbamate has a molecular weight of 229.32 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ium;N-piperidin-1-ylcarbamate is sourced from PubChem (CID 139618603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).