piperidine;piperidin-1-ium;carbamate

C11H25N3O2 — CID 19375390

IUPACpiperidine;piperidin-1-ium;carbamate
SMILESC1CCNCC1.C1CC[NH2+]CC1.NC(=O)[O-]
InChIInChI=1S/2C5H11N.CH3NO2/c2*1-2-4-6-5-3-1;2-1(3)4/h2*6H,1-5H2;2H2,(H,3,4)
InChIKeyUATLOUQSFSSQMH-UHFFFAOYSA-N
MW231.34 g/mol
LogP-1.22
Rot. Bonds

About piperidine;piperidin-1-ium;carbamate

piperidine;piperidin-1-ium;carbamate (PubChem CID 19375390) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is piperidine;piperidin-1-ium;carbamate.

Molecular Properties

Compound Namepiperidine;piperidin-1-ium;carbamate
PubChem CID19375390
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Namepiperidine;piperidin-1-ium;carbamate
SMILESC1CCNCC1.C1CC[NH2+]CC1.NC(=O)[O-]
InChIInChI=1S/2C5H11N.CH3NO2/c2*1-2-4-6-5-3-1;2-1(3)4/h2*6H,1-5H2;2H2,(H,3,4)
InChIKeyUATLOUQSFSSQMH-UHFFFAOYSA-N
XLogP-1.22
TPSA94.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidinium 1-piperidinecarboxylate
CID 129826698
Piperidine;piperidine-1-carboxylic acid
CID 15122514
Bis piperidine urea
CID 21223922
Azodicarboxylate dipiperidine
CID 66707187
Bis(piperidin-1-ium);carbonate
CID 69100409
Carbamic acid;bis(piperidine)
CID 70442266
piperidin-1-ium;N-piperidin-1-ylcarbamate
CID 139618603
Bis(piperidin-1-ium) diacetate
CID 141266266
Piperidine;piperidin-4-ylcarbamic acid
CID 161793098
Piperidine-1-carbonyl piperazine-1-carboxylate
CID 166498509
Carbon dioxide;molecular hydrogen;piperidine;piperidine-1-carbaldehyde
CID 167627373
Carbonic acid;bis(piperidine)
CID 173138337

Frequently Asked Questions

What is the IUPAC name of piperidine;piperidin-1-ium;carbamate?
The IUPAC name of piperidine;piperidin-1-ium;carbamate (CID 19375390) is piperidine;piperidin-1-ium;carbamate.
What is the SMILES notation for piperidine;piperidin-1-ium;carbamate?
The canonical SMILES for piperidine;piperidin-1-ium;carbamate is C1CCNCC1.C1CC[NH2+]CC1.NC(=O)[O-].
What is the InChIKey of piperidine;piperidin-1-ium;carbamate?
The InChIKey is UATLOUQSFSSQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11N.CH3NO2/c2*1-2-4-6-5-3-1;2-1(3)4/h2*6H,1-5H2;2H2,(H,3,4).
What are the key properties of piperidine;piperidin-1-ium;carbamate?
piperidine;piperidin-1-ium;carbamate has a molecular weight of 231.34 g/mol, XLogP of -1.22, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;piperidin-1-ium;carbamate is sourced from PubChem (CID 19375390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).