1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine

C18H23F2N — CID 58772037

IUPAC1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine
SMILESFc1ccc(F)c(C2CCN(C3C[C@H]4CC[C@H]3C4)CC2)c1
InChIInChI=1S/C18H23F2N/c19-15-3-4-17(20)16(11-15)13-5-7-21(8-6-13)18-10-12-1-2-14(18)9-12/h3-4,11-14,18H,1-2,5-10H2/t12-,14-,18?/m0/s1
InChIKeyHWRRBFZHSGVLBR-OHASFMIRSA-N
MW291.38 g/mol
LogP4.33
Rot. Bonds2

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

1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine (PubChem CID 58772037) has the molecular formula C18H23F2N and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine.

Molecular Properties

Compound Name1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine
PubChem CID58772037
Molecular FormulaC18H23F2N
Molecular Weight291.38 g/mol
Exact Mass291.18
IUPAC Name1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine
SMILESFc1ccc(F)c(C2CCN(C3C[C@H]4CC[C@H]3C4)CC2)c1
InChIInChI=1S/C18H23F2N/c19-15-3-4-17(20)16(11-15)13-5-7-21(8-6-13)18-10-12-1-2-14(18)9-12/h3-4,11-14,18H,1-2,5-10H2/t12-,14-,18?/m0/s1
InChIKeyHWRRBFZHSGVLBR-OHASFMIRSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine?
The IUPAC name of 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine (CID 58772037) is 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine.
What is the SMILES notation for 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine?
The canonical SMILES for 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine is Fc1ccc(F)c(C2CCN(C3C[C@H]4CC[C@H]3C4)CC2)c1.
What is the InChIKey of 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine?
The InChIKey is HWRRBFZHSGVLBR-OHASFMIRSA-N. The full InChI is InChI=1S/C18H23F2N/c19-15-3-4-17(20)16(11-15)13-5-7-21(8-6-13)18-10-12-1-2-14(18)9-12/h3-4,11-14,18H,1-2,5-10H2/t12-,14-,18?/m0/s1.
What are the key properties of 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine?
1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine has a molecular weight of 291.38 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-difluorophenyl)piperidine is sourced from PubChem (CID 58772037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).