methyl 2-[(3R)-piperidin-3-yl]acetate;hydrochloride

C8H16ClNO2 — CID 45073967

IUPACmethyl 2-[(3R)-piperidin-3-yl]acetate;hydrochloride
SMILESCOC(=O)C[C@H]1CCCNC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-8(10)5-7-3-2-4-9-6-7;/h7,9H,2-6H2,1H3;1H/t7-;/m1./s1
InChIKeyBZRVXFSQPBNUIE-OGFXRTJISA-N
MW193.67 g/mol
LogP0.97
Rot. Bonds2

About methyl 2-[(3R)-piperidin-3-yl]acetate;hydrochloride

methyl 2-[(3R)-piperidin-3-yl]acetate;hydrochloride (PubChem CID 45073967) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is methyl 2-[(3R)-piperidin-3-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(3R)-piperidin-3-yl]acetate;hydrochloride
PubChem CID45073967
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namemethyl 2-[(3R)-piperidin-3-yl]acetate;hydrochloride
SMILESCOC(=O)C[C@H]1CCCNC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-8(10)5-7-3-2-4-9-6-7;/h7,9H,2-6H2,1H3;1H/t7-;/m1./s1
InChIKeyBZRVXFSQPBNUIE-OGFXRTJISA-N
XLogP0.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-piperidin-3-yl]acetate;hydrochloride?
The IUPAC name of methyl 2-[(3R)-piperidin-3-yl]acetate;hydrochloride (CID 45073967) is methyl 2-[(3R)-piperidin-3-yl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[(3R)-piperidin-3-yl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[(3R)-piperidin-3-yl]acetate;hydrochloride is COC(=O)C[C@H]1CCCNC1.Cl.
What is the InChIKey of methyl 2-[(3R)-piperidin-3-yl]acetate;hydrochloride?
The InChIKey is BZRVXFSQPBNUIE-OGFXRTJISA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-11-8(10)5-7-3-2-4-9-6-7;/h7,9H,2-6H2,1H3;1H/t7-;/m1./s1.
What are the key properties of methyl 2-[(3R)-piperidin-3-yl]acetate;hydrochloride?
methyl 2-[(3R)-piperidin-3-yl]acetate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-piperidin-3-yl]acetate;hydrochloride is sourced from PubChem (CID 45073967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).