1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine

C19H25ClFNO — CID 58772408

IUPAC1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine
SMILESCOc1ccc(Cl)cc1C1(F)CCN([C@@H]2C[C@H]3CCC2C3)CC1
InChIInChI=1S/C19H25ClFNO/c1-23-18-5-4-15(20)12-16(18)19(21)6-8-22(9-7-19)17-11-13-2-3-14(17)10-13/h4-5,12-14,17H,2-3,6-11H2,1H3/t13-,14?,17+/m0/s1
InChIKeyROBYLSJSGAHWRH-BHVXPOTESA-N
MW337.87 g/mol
LogP4.80
Rot. Bonds3

About 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine

1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine (PubChem CID 58772408) has the molecular formula C19H25ClFNO and a molecular weight of 337.87 g/mol. Its IUPAC name is 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine.

Molecular Properties

Compound Name1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine
PubChem CID58772408
Molecular FormulaC19H25ClFNO
Molecular Weight337.87 g/mol
Exact Mass337.16
IUPAC Name1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine
SMILESCOc1ccc(Cl)cc1C1(F)CCN([C@@H]2C[C@H]3CCC2C3)CC1
InChIInChI=1S/C19H25ClFNO/c1-23-18-5-4-15(20)12-16(18)19(21)6-8-22(9-7-19)17-11-13-2-3-14(17)10-13/h4-5,12-14,17H,2-3,6-11H2,1H3/t13-,14?,17+/m0/s1
InChIKeyROBYLSJSGAHWRH-BHVXPOTESA-N
XLogP4.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine with MolForge

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Related Compounds

1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol
CID 58772186
1-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)piperazine
CID 11427211
1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine
CID 58772326
3-(5-chloro-2-methoxyphenyl)-3-fluorocyclobutan-1-amine
CID 112564095
1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol
CID 58772507
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(2,4-difluorophenyl)-2-methoxyphenyl]piperidine
CID 58772124
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(2,5-difluorophenyl)-2-methoxyphenyl]piperidine
CID 58772399
[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-(4-chloro-2-fluorophenyl)methanone
CID 86813261
[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 11898797
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-ethyl-2-methoxyphenyl)piperidine
CID 70795098
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 7108898
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(4-chlorophenyl)sulfonylpiperazine
CID 11878975

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine?
The IUPAC name of 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine (CID 58772408) is 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine.
What is the SMILES notation for 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine?
The canonical SMILES for 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine is COc1ccc(Cl)cc1C1(F)CCN([C@@H]2C[C@H]3CCC2C3)CC1.
What is the InChIKey of 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine?
The InChIKey is ROBYLSJSGAHWRH-BHVXPOTESA-N. The full InChI is InChI=1S/C19H25ClFNO/c1-23-18-5-4-15(20)12-16(18)19(21)6-8-22(9-7-19)17-11-13-2-3-14(17)10-13/h4-5,12-14,17H,2-3,6-11H2,1H3/t13-,14?,17+/m0/s1.
What are the key properties of 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine?
1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine has a molecular weight of 337.87 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-chloro-2-methoxyphenyl)-4-fluoropiperidine is sourced from PubChem (CID 58772408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).