2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine

C18H25F2N — CID 57496428

IUPAC2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine
SMILESCN1CCC(c2ccccc2)CC1C1CCCC(F)(F)C1
InChIInChI=1S/C18H25F2N/c1-21-11-9-15(14-6-3-2-4-7-14)12-17(21)16-8-5-10-18(19,20)13-16/h2-4,6-7,15-17H,5,8-13H2,1H3
InChIKeyRLROUSFMKCIHFB-UHFFFAOYSA-N
MW293.40 g/mol
LogP4.69
Rot. Bonds2

About 2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine

2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine (PubChem CID 57496428) has the molecular formula C18H25F2N and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine
PubChem CID57496428
Molecular FormulaC18H25F2N
Molecular Weight293.40 g/mol
Exact Mass293.20
IUPAC Name2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine
SMILESCN1CCC(c2ccccc2)CC1C1CCCC(F)(F)C1
InChIInChI=1S/C18H25F2N/c1-21-11-9-15(14-6-3-2-4-7-14)12-17(21)16-8-5-10-18(19,20)13-16/h2-4,6-7,15-17H,5,8-13H2,1H3
InChIKeyRLROUSFMKCIHFB-UHFFFAOYSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine (CID 57496428) is 2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine is CN1CCC(c2ccccc2)CC1C1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine?
The InChIKey is RLROUSFMKCIHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N/c1-21-11-9-15(14-6-3-2-4-7-14)12-17(21)16-8-5-10-18(19,20)13-16/h2-4,6-7,15-17H,5,8-13H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine?
2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine has a molecular weight of 293.40 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-methyl-4-phenylpiperidine is sourced from PubChem (CID 57496428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).