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

C14H24ClF2NO2 — CID 66731813

IUPACmethyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CCNC(CC2CCC(F)(F)CC2)C1.Cl
InChIInChI=1S/C14H23F2NO2.ClH/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;1H
InChIKeyJFGMMBZDTACMHA-UHFFFAOYSA-N
MW311.80 g/mol
LogP3.16
Rot. Bonds3

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

methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate;hydrochloride (PubChem CID 66731813) has the molecular formula C14H24ClF2NO2 and a molecular weight of 311.80 g/mol. Its IUPAC name is methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate;hydrochloride
PubChem CID66731813
Molecular FormulaC14H24ClF2NO2
Molecular Weight311.80 g/mol
Exact Mass311.15
IUPAC Namemethyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CCNC(CC2CCC(F)(F)CC2)C1.Cl
InChIInChI=1S/C14H23F2NO2.ClH/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;1H
InChIKeyJFGMMBZDTACMHA-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 53.16
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;hydrochloride?
The IUPAC name of methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate;hydrochloride (CID 66731813) is methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate;hydrochloride is COC(=O)C1CCNC(CC2CCC(F)(F)CC2)C1.Cl.
What is the InChIKey of methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate;hydrochloride?
The InChIKey is JFGMMBZDTACMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO2.ClH/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;1H.
What are the key properties of methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate;hydrochloride?
methyl 2-[(4,4-difluorocyclohexyl)methyl]piperidine-4-carboxylate;hydrochloride has a molecular weight of 311.80 g/mol, XLogP of 3.16, 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;hydrochloride is sourced from PubChem (CID 66731813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).