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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Related Compounds

[(2S,4R)-2-(3,3-difluorocyclohexyl)-4-phenylpiperidin-1-yl]-[(3'S,4S)-8-methoxyspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-3'-yl]methanone chloride
CID 46893604
[(2S,4R)-2-(3,3-difluorocyclohexyl)-4-phenylpiperidin-1-yl]-[(3'S,7S)-2-methylspiro[5,6-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-ium-7,4'-pyrrolidin-1-ium]-3'-yl]methanone dichloride
CID 160876161
[(2S,4R)-2-(3,3-difluorocyclohexyl)-4-phenylpiperidin-1-yl]-[(3'S,6R)-spiro[3,7,8,9-tetrahydro-2H-benzo[g][1]benzofuran-6,4'-pyrrolidin-1-ium]-3'-yl]methanone
CID 58549380
(2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride
CID 178190208
ethane;(5R,6S)-7-methyl-2,6-diphenyl-7-azaspiro[4.5]decan-4-one
CID 160740746
8-methyl-11-phenyl-8-azaspiro[5.6]dodecane
CID 13240399
2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine
CID 62936547
(4aR,8aR)-1-methyl-6-phenyl-2,3,4,4a,5,7,8,8a-octahydroquinoline-6-carbonitrile
CID 154107703
1-fluoro-4-phenylpiperidine
CID 143940552
1-methyl-2-phenylazetidine
CID 576373
azane;3,3-dimethyl-1-(2-phenylcyclopropyl)piperidine
CID 174742418
1-methyl-4-phenyl-2-propan-2-ylpyrrolidine
CID 158471478

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).