methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate

C14H23F2NO2 — CID 66731814

IUPACmethyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCNC(CC2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H23F2NO2/c1-19-13(18)11-4-7-17-12(9-11)8-10-2-5-14(15,16)6-3-10/h10-12,17H,2-9H2,1H3
InChIKeyMCQKLTFRQGZISK-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.74
Rot. Bonds3

About methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate

methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate (PubChem CID 66731814) has the molecular formula C14H23F2NO2 and a molecular weight of 275.34 g/mol. Its IUPAC name is methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate
PubChem CID66731814
Molecular FormulaC14H23F2NO2
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Namemethyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCNC(CC2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H23F2NO2/c1-19-13(18)11-4-7-17-12(9-11)8-10-2-5-14(15,16)6-3-10/h10-12,17H,2-9H2,1H3
InChIKeyMCQKLTFRQGZISK-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate (CID 66731814) is methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate is COC(=O)C1CCNC(CC2CCC(F)(F)CC2)C1.
What is the InChIKey of methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate?
The InChIKey is MCQKLTFRQGZISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO2/c1-19-13(18)11-4-7-17-12(9-11)8-10-2-5-14(15,16)6-3-10/h10-12,17H,2-9H2,1H3.
What are the key properties of methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate?
methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate has a molecular weight of 275.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 66731814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).