1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine

C20H29F2NO — CID 175211247

IUPAC1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
SMILESCC1(OCc2ccccc2)CCCCN1CC1CCC(F)(F)CC1
InChIInChI=1S/C20H29F2NO/c1-19(24-16-18-7-3-2-4-8-18)11-5-6-14-23(19)15-17-9-12-20(21,22)13-10-17/h2-4,7-8,17H,5-6,9-16H2,1H3
InChIKeySCTCQINUGKTMDQ-UHFFFAOYSA-N
MW337.45 g/mol
LogP5.23
Rot. Bonds5

About 1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine

1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine (PubChem CID 175211247) has the molecular formula C20H29F2NO and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
PubChem CID175211247
Molecular FormulaC20H29F2NO
Molecular Weight337.45 g/mol
Exact Mass337.22
IUPAC Name1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
SMILESCC1(OCc2ccccc2)CCCCN1CC1CCC(F)(F)CC1
InChIInChI=1S/C20H29F2NO/c1-19(24-16-18-7-3-2-4-8-18)11-5-6-14-23(19)15-17-9-12-20(21,22)13-10-17/h2-4,7-8,17H,5-6,9-16H2,1H3
InChIKeySCTCQINUGKTMDQ-UHFFFAOYSA-N
XLogP5.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-cyclopropylcyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175205971
1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine
CID 175216623
2-methyl-2-phenylmethoxy-1-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]piperidine
CID 175211251
2-methyl-2-phenylmethoxy-1-[(1-thiophen-3-ylpyrrolidin-3-yl)methyl]piperidine
CID 175211306
2-(bromomethyl)-1-(2-cyclohexylethyl)-2-phenylmethoxypiperidine
CID 175208324
2-(fluoromethyl)-1-(2-phenylethyl)-2-phenylmethoxypiperidine
CID 175215705
2-phenylmethoxy-2-(phenylmethoxymethyl)-1-(pyrrolidin-3-ylmethyl)piperidine
CID 175407502
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
(3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol
CID 162632619
methoxymethane;2,2,6,6-tetramethyl-1-phenylmethoxypiperidine
CID 142146292
1-methyl-2-phenylmethoxyspiro[2.5]octan-2-ol
CID 134987886
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine (CID 175211247) is 1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine is CC1(OCc2ccccc2)CCCCN1CC1CCC(F)(F)CC1.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine?
The InChIKey is SCTCQINUGKTMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2NO/c1-19(24-16-18-7-3-2-4-8-18)11-5-6-14-23(19)15-17-9-12-20(21,22)13-10-17/h2-4,7-8,17H,5-6,9-16H2,1H3.
What are the key properties of 1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine?
1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine has a molecular weight of 337.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluorocyclohexyl)methyl]-2-methyl-2-phenylmethoxypiperidine is sourced from PubChem (CID 175211247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).