methyl 3-[6-(trifluoromethyl)piperidin-3-yl]propanoate;hydrochloride

C10H17ClF3NO2 — CID 155820607

IUPACmethyl 3-[6-(trifluoromethyl)piperidin-3-yl]propanoate;hydrochloride
SMILESCOC(=O)CCC1CCC(C(F)(F)F)NC1.Cl
InChIInChI=1S/C10H16F3NO2.ClH/c1-16-9(15)5-3-7-2-4-8(14-6-7)10(11,12)13;/h7-8,14H,2-6H2,1H3;1H
InChIKeyCUQPOUIEQRPPRJ-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.29
Rot. Bonds3

About methyl 3-[6-(trifluoromethyl)piperidin-3-yl]propanoate;hydrochloride

methyl 3-[6-(trifluoromethyl)piperidin-3-yl]propanoate;hydrochloride (PubChem CID 155820607) has the molecular formula C10H17ClF3NO2 and a molecular weight of 275.70 g/mol. Its IUPAC name is methyl 3-[6-(trifluoromethyl)piperidin-3-yl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[6-(trifluoromethyl)piperidin-3-yl]propanoate;hydrochloride
PubChem CID155820607
Molecular FormulaC10H17ClF3NO2
Molecular Weight275.70 g/mol
Exact Mass275.09
IUPAC Namemethyl 3-[6-(trifluoromethyl)piperidin-3-yl]propanoate;hydrochloride
SMILESCOC(=O)CCC1CCC(C(F)(F)F)NC1.Cl
InChIInChI=1S/C10H16F3NO2.ClH/c1-16-9(15)5-3-7-2-4-8(14-6-7)10(11,12)13;/h7-8,14H,2-6H2,1H3;1H
InChIKeyCUQPOUIEQRPPRJ-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-(trifluoromethyl)piperidin-3-yl]propanoate;hydrochloride?
The IUPAC name of methyl 3-[6-(trifluoromethyl)piperidin-3-yl]propanoate;hydrochloride (CID 155820607) is methyl 3-[6-(trifluoromethyl)piperidin-3-yl]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[6-(trifluoromethyl)piperidin-3-yl]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[6-(trifluoromethyl)piperidin-3-yl]propanoate;hydrochloride is COC(=O)CCC1CCC(C(F)(F)F)NC1.Cl.
What is the InChIKey of methyl 3-[6-(trifluoromethyl)piperidin-3-yl]propanoate;hydrochloride?
The InChIKey is CUQPOUIEQRPPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2.ClH/c1-16-9(15)5-3-7-2-4-8(14-6-7)10(11,12)13;/h7-8,14H,2-6H2,1H3;1H.
What are the key properties of methyl 3-[6-(trifluoromethyl)piperidin-3-yl]propanoate;hydrochloride?
methyl 3-[6-(trifluoromethyl)piperidin-3-yl]propanoate;hydrochloride has a molecular weight of 275.70 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-(trifluoromethyl)piperidin-3-yl]propanoate;hydrochloride is sourced from PubChem (CID 155820607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).