1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-difluoro-2-methoxyphenyl)piperidine

C19H25F2NO — CID 58772460

IUPAC1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-difluoro-2-methoxyphenyl)piperidine
SMILESCOc1c(F)cc(F)cc1C1CCN([C@H]2C[C@H]3CCC2C3)CC1
InChIInChI=1S/C19H25F2NO/c1-23-19-16(10-15(20)11-17(19)21)13-4-6-22(7-5-13)18-9-12-2-3-14(18)8-12/h10-14,18H,2-9H2,1H3/t12-,14?,18-/m0/s1
InChIKeyFIPWYLNOMXSVGD-PKZGSEHASA-N
MW321.41 g/mol
LogP4.34
Rot. Bonds3

About 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-difluoro-2-methoxyphenyl)piperidine

1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-difluoro-2-methoxyphenyl)piperidine (PubChem CID 58772460) has the molecular formula C19H25F2NO and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-difluoro-2-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-difluoro-2-methoxyphenyl)piperidine
PubChem CID58772460
Molecular FormulaC19H25F2NO
Molecular Weight321.41 g/mol
Exact Mass321.19
IUPAC Name1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-difluoro-2-methoxyphenyl)piperidine
SMILESCOc1c(F)cc(F)cc1C1CCN([C@H]2C[C@H]3CCC2C3)CC1
InChIInChI=1S/C19H25F2NO/c1-23-19-16(10-15(20)11-17(19)21)13-4-6-22(7-5-13)18-9-12-2-3-14(18)8-12/h10-14,18H,2-9H2,1H3/t12-,14?,18-/m0/s1
InChIKeyFIPWYLNOMXSVGD-PKZGSEHASA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine
CID 58772037
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(2,4-difluorophenyl)-2-methoxyphenyl]piperidine
CID 58772124
4-(3,5-difluoro-2-methoxyphenyl)-1-(oxan-4-yl)piperidine
CID 58772339
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[5-(2,5-difluorophenyl)-2-methoxyphenyl]piperidine
CID 58772399
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperidine
CID 58772016
1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine
CID 58772326
1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(2,3-dimethoxyphenyl)phenyl]piperidine
CID 58772096
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-ethyl-2-methoxyphenyl)piperidine
CID 70795098
1-[3-[1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-methoxyphenyl]-2-methylpropan-1-one
CID 66970812
1-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-methoxyphenyl)phenyl]piperidine
CID 11703842
4-[3-[1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]-4-methoxyphenyl]aniline
CID 88979595
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-methoxy-5-(2-phenylethynyl)phenyl]piperidine
CID 66970923

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-difluoro-2-methoxyphenyl)piperidine?
The IUPAC name of 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-difluoro-2-methoxyphenyl)piperidine (CID 58772460) is 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-difluoro-2-methoxyphenyl)piperidine.
What is the SMILES notation for 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-difluoro-2-methoxyphenyl)piperidine?
The canonical SMILES for 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-difluoro-2-methoxyphenyl)piperidine is COc1c(F)cc(F)cc1C1CCN([C@H]2C[C@H]3CCC2C3)CC1.
What is the InChIKey of 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-difluoro-2-methoxyphenyl)piperidine?
The InChIKey is FIPWYLNOMXSVGD-PKZGSEHASA-N. The full InChI is InChI=1S/C19H25F2NO/c1-23-19-16(10-15(20)11-17(19)21)13-4-6-22(7-5-13)18-9-12-2-3-14(18)8-12/h10-14,18H,2-9H2,1H3/t12-,14?,18-/m0/s1.
What are the key properties of 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-difluoro-2-methoxyphenyl)piperidine?
1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-difluoro-2-methoxyphenyl)piperidine has a molecular weight of 321.41 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-difluoro-2-methoxyphenyl)piperidine is sourced from PubChem (CID 58772460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).