piperidin-4-yl N,N-dimethylcarbamate;hydrochloride

C8H17ClN2O2 — CID 119032139

IUPACpiperidin-4-yl N,N-dimethylcarbamate;hydrochloride
SMILESCN(C)C(=O)OC1CCNCC1.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-10(2)8(11)12-7-3-5-9-6-4-7;/h7,9H,3-6H2,1-2H3;1H
InChIKeyMWOZRNUJYUNCCO-UHFFFAOYSA-N
MW208.69 g/mol
LogP0.86
Rot. Bonds1

About piperidin-4-yl N,N-dimethylcarbamate;hydrochloride

piperidin-4-yl N,N-dimethylcarbamate;hydrochloride (PubChem CID 119032139) has the molecular formula C8H17ClN2O2 and a molecular weight of 208.69 g/mol. Its IUPAC name is piperidin-4-yl N,N-dimethylcarbamate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-yl N,N-dimethylcarbamate;hydrochloride
PubChem CID119032139
Molecular FormulaC8H17ClN2O2
Molecular Weight208.69 g/mol
Exact Mass208.10
IUPAC Namepiperidin-4-yl N,N-dimethylcarbamate;hydrochloride
SMILESCN(C)C(=O)OC1CCNCC1.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-10(2)8(11)12-7-3-5-9-6-4-7;/h7,9H,3-6H2,1-2H3;1H
InChIKeyMWOZRNUJYUNCCO-UHFFFAOYSA-N
XLogP0.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl N,N-dimethylcarbamate;hydrochloride?
The IUPAC name of piperidin-4-yl N,N-dimethylcarbamate;hydrochloride (CID 119032139) is piperidin-4-yl N,N-dimethylcarbamate;hydrochloride.
What is the SMILES notation for piperidin-4-yl N,N-dimethylcarbamate;hydrochloride?
The canonical SMILES for piperidin-4-yl N,N-dimethylcarbamate;hydrochloride is CN(C)C(=O)OC1CCNCC1.Cl.
What is the InChIKey of piperidin-4-yl N,N-dimethylcarbamate;hydrochloride?
The InChIKey is MWOZRNUJYUNCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.ClH/c1-10(2)8(11)12-7-3-5-9-6-4-7;/h7,9H,3-6H2,1-2H3;1H.
What are the key properties of piperidin-4-yl N,N-dimethylcarbamate;hydrochloride?
piperidin-4-yl N,N-dimethylcarbamate;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl N,N-dimethylcarbamate;hydrochloride is sourced from PubChem (CID 119032139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).