methyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate

C10H16F3NO2 — CID 60690089

IUPACmethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-16-9(15)8-2-5-14(6-3-8)7-4-10(11,12)13/h8H,2-7H2,1H3
InChIKeyPVFPDGKFWARJNB-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.82
Rot. Bonds3

About methyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate

methyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate (PubChem CID 60690089) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is methyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
PubChem CID60690089
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Namemethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-16-9(15)8-2-5-14(6-3-8)7-4-10(11,12)13/h8H,2-7H2,1H3
InChIKeyPVFPDGKFWARJNB-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Methyl 1-Methyl-4-piperidinecarboxylate
CID 3616844
N-[18F]Fluoroethylpiperidin-4ylmethyl acetate
CID 46172914
[1-(2-Fluoroethyl)piperidin-4-yl]methyl butanoate
CID 10105300
[1-(2-Fluoroethyl)piperidin-4-yl]methyl acetate
CID 11820197
N-Methylisonipecotic acid, ethyl ester, hydrochloride
CID 52991957
1-(2,2-Difluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91647610
1-(2,2,2-Trifluoroethyl)piperidine-4-carboxylic acid hydrochloride
CID 91663079
Methyl 1-(2-cyanoethyl)piperidine-4-carboxylate
CID 24707505
Methyl 1-cyanopiperidine-4-carboxylate
CID 104185241
N-Methylpethidine
CID 6452722
1-O-(difluoromethyl) 4-O-methyl piperidine-1,4-dicarboxylate
CID 146161419

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate (CID 60690089) is methyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate is COC(=O)C1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of methyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate?
The InChIKey is PVFPDGKFWARJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-16-9(15)8-2-5-14(6-3-8)7-4-10(11,12)13/h8H,2-7H2,1H3.
What are the key properties of methyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate?
methyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate has a molecular weight of 239.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate is sourced from PubChem (CID 60690089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).