methyl N-piperidin-4-ylcarbamate;hydrochloride

C7H15ClN2O2 — CID 67248274

IUPACmethyl N-piperidin-4-ylcarbamate;hydrochloride
SMILESCOC(=O)NC1CCNCC1.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-11-7(10)9-6-2-4-8-5-3-6;/h6,8H,2-5H2,1H3,(H,9,10);1H
InChIKeyWAOUQLWNTOYIDU-UHFFFAOYSA-N
MW194.66 g/mol
LogP0.52
Rot. Bonds1

About methyl N-piperidin-4-ylcarbamate;hydrochloride

methyl N-piperidin-4-ylcarbamate;hydrochloride (PubChem CID 67248274) has the molecular formula C7H15ClN2O2 and a molecular weight of 194.66 g/mol. Its IUPAC name is methyl N-piperidin-4-ylcarbamate;hydrochloride.

Molecular Properties

Compound Namemethyl N-piperidin-4-ylcarbamate;hydrochloride
PubChem CID67248274
Molecular FormulaC7H15ClN2O2
Molecular Weight194.66 g/mol
Exact Mass194.08
IUPAC Namemethyl N-piperidin-4-ylcarbamate;hydrochloride
SMILESCOC(=O)NC1CCNCC1.Cl
InChIInChI=1S/C7H14N2O2.ClH/c1-11-7(10)9-6-2-4-8-5-3-6;/h6,8H,2-5H2,1H3,(H,9,10);1H
InChIKeyWAOUQLWNTOYIDU-UHFFFAOYSA-N
XLogP0.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-piperidin-4-ylcarbamate;hydrochloride?
The IUPAC name of methyl N-piperidin-4-ylcarbamate;hydrochloride (CID 67248274) is methyl N-piperidin-4-ylcarbamate;hydrochloride.
What is the SMILES notation for methyl N-piperidin-4-ylcarbamate;hydrochloride?
The canonical SMILES for methyl N-piperidin-4-ylcarbamate;hydrochloride is COC(=O)NC1CCNCC1.Cl.
What is the InChIKey of methyl N-piperidin-4-ylcarbamate;hydrochloride?
The InChIKey is WAOUQLWNTOYIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.ClH/c1-11-7(10)9-6-2-4-8-5-3-6;/h6,8H,2-5H2,1H3,(H,9,10);1H.
What are the key properties of methyl N-piperidin-4-ylcarbamate;hydrochloride?
methyl N-piperidin-4-ylcarbamate;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-piperidin-4-ylcarbamate;hydrochloride is sourced from PubChem (CID 67248274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).