1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,4-difluorophenyl)piperidin-4-ol

C18H23F2NO — CID 58772309

IUPAC1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,4-difluorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(F)cc2F)CCN(C2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C18H23F2NO/c19-14-3-4-15(16(20)11-14)18(22)5-7-21(8-6-18)17-10-12-1-2-13(17)9-12/h3-4,11-13,17,22H,1-2,5-10H2/t12-,13-,17?/m0/s1
InChIKeyYFINMSNTRSYCMD-RNWUTADCSA-N
MW307.38 g/mol
LogP3.44
Rot. Bonds2

About 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,4-difluorophenyl)piperidin-4-ol

1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,4-difluorophenyl)piperidin-4-ol (PubChem CID 58772309) has the molecular formula C18H23F2NO and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,4-difluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,4-difluorophenyl)piperidin-4-ol
PubChem CID58772309
Molecular FormulaC18H23F2NO
Molecular Weight307.38 g/mol
Exact Mass307.17
IUPAC Name1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,4-difluorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(F)cc2F)CCN(C2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C18H23F2NO/c19-14-3-4-15(16(20)11-14)18(22)5-7-21(8-6-18)17-10-12-1-2-13(17)9-12/h3-4,11-13,17,22H,1-2,5-10H2/t12-,13-,17?/m0/s1
InChIKeyYFINMSNTRSYCMD-RNWUTADCSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,4-difluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,4-difluorophenyl)piperidin-4-ol (CID 58772309) is 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,4-difluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,4-difluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,4-difluorophenyl)piperidin-4-ol is OC1(c2ccc(F)cc2F)CCN(C2C[C@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,4-difluorophenyl)piperidin-4-ol?
The InChIKey is YFINMSNTRSYCMD-RNWUTADCSA-N. The full InChI is InChI=1S/C18H23F2NO/c19-14-3-4-15(16(20)11-14)18(22)5-7-21(8-6-18)17-10-12-1-2-13(17)9-12/h3-4,11-13,17,22H,1-2,5-10H2/t12-,13-,17?/m0/s1.
What are the key properties of 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,4-difluorophenyl)piperidin-4-ol?
1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,4-difluorophenyl)piperidin-4-ol has a molecular weight of 307.38 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,4-difluorophenyl)piperidin-4-ol is sourced from PubChem (CID 58772309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).