methyl piperidin-4-yl carbonate;hydrochloride

C7H14ClNO3 — CID 69353904

IUPACmethyl piperidin-4-yl carbonate;hydrochloride
SMILESCOC(=O)OC1CCNCC1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-10-7(9)11-6-2-4-8-5-3-6;/h6,8H,2-5H2,1H3;1H
InChIKeyNYZYZTSEGRNDPX-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.94
Rot. Bonds1

About methyl piperidin-4-yl carbonate;hydrochloride

methyl piperidin-4-yl carbonate;hydrochloride (PubChem CID 69353904) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is methyl piperidin-4-yl carbonate;hydrochloride.

Molecular Properties

Compound Namemethyl piperidin-4-yl carbonate;hydrochloride
PubChem CID69353904
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Namemethyl piperidin-4-yl carbonate;hydrochloride
SMILESCOC(=O)OC1CCNCC1.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-10-7(9)11-6-2-4-8-5-3-6;/h6,8H,2-5H2,1H3;1H
InChIKeyNYZYZTSEGRNDPX-UHFFFAOYSA-N
XLogP0.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl piperidin-4-yl carbonate;hydrochloride?
The IUPAC name of methyl piperidin-4-yl carbonate;hydrochloride (CID 69353904) is methyl piperidin-4-yl carbonate;hydrochloride.
What is the SMILES notation for methyl piperidin-4-yl carbonate;hydrochloride?
The canonical SMILES for methyl piperidin-4-yl carbonate;hydrochloride is COC(=O)OC1CCNCC1.Cl.
What is the InChIKey of methyl piperidin-4-yl carbonate;hydrochloride?
The InChIKey is NYZYZTSEGRNDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-10-7(9)11-6-2-4-8-5-3-6;/h6,8H,2-5H2,1H3;1H.
What are the key properties of methyl piperidin-4-yl carbonate;hydrochloride?
methyl piperidin-4-yl carbonate;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl piperidin-4-yl carbonate;hydrochloride is sourced from PubChem (CID 69353904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).