1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-fluoro-2-methylphenyl)piperidine

C19H26FN — CID 58771989

IUPAC1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-fluoro-2-methylphenyl)piperidine
SMILESCc1ccc(F)cc1C1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C19H26FN/c1-13-2-5-17(20)12-18(13)15-6-8-21(9-7-15)19-11-14-3-4-16(19)10-14/h2,5,12,14-16,19H,3-4,6-11H2,1H3/t14-,16-,19+/m0/s1
InChIKeyPBPBOUHVEBSCOQ-URLQWDBASA-N
MW287.42 g/mol
LogP4.50
Rot. Bonds2

About 1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-fluoro-2-methylphenyl)piperidine

1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-fluoro-2-methylphenyl)piperidine (PubChem CID 58771989) has the molecular formula C19H26FN and a molecular weight of 287.42 g/mol. Its IUPAC name is 1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-fluoro-2-methylphenyl)piperidine.

Molecular Properties

Compound Name1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-fluoro-2-methylphenyl)piperidine
PubChem CID58771989
Molecular FormulaC19H26FN
Molecular Weight287.42 g/mol
Exact Mass287.20
IUPAC Name1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-fluoro-2-methylphenyl)piperidine
SMILESCc1ccc(F)cc1C1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C19H26FN/c1-13-2-5-17(20)12-18(13)15-6-8-21(9-7-15)19-11-14-3-4-16(19)10-14/h2,5,12,14-16,19H,3-4,6-11H2,1H3/t14-,16-,19+/m0/s1
InChIKeyPBPBOUHVEBSCOQ-URLQWDBASA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-fluoro-2-methylphenyl)piperidine?
The IUPAC name of 1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-fluoro-2-methylphenyl)piperidine (CID 58771989) is 1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-fluoro-2-methylphenyl)piperidine.
What is the SMILES notation for 1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-fluoro-2-methylphenyl)piperidine?
The canonical SMILES for 1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-fluoro-2-methylphenyl)piperidine is Cc1ccc(F)cc1C1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-fluoro-2-methylphenyl)piperidine?
The InChIKey is PBPBOUHVEBSCOQ-URLQWDBASA-N. The full InChI is InChI=1S/C19H26FN/c1-13-2-5-17(20)12-18(13)15-6-8-21(9-7-15)19-11-14-3-4-16(19)10-14/h2,5,12,14-16,19H,3-4,6-11H2,1H3/t14-,16-,19+/m0/s1.
What are the key properties of 1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-fluoro-2-methylphenyl)piperidine?
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-fluoro-2-methylphenyl)piperidine has a molecular weight of 287.42 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(5-fluoro-2-methylphenyl)piperidine is sourced from PubChem (CID 58771989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).