4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol

C31H34FNO — CID 162672808

IUPAC4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol
SMILESOc1ccc(/C(=C(\CCCF)c2ccccc2)c2ccc(C3CCN(C4CC4)CC3)cc2)cc1
InChIInChI=1S/C31H34FNO/c32-20-4-7-30(25-5-2-1-3-6-25)31(27-12-16-29(34)17-13-27)26-10-8-23(9-11-26)24-18-21-33(22-19-24)28-14-15-28/h1-3,5-6,8-13,16-17,24,28,34H,4,7,14-15,18-22H2/b31-30+
InChIKeyLSXNUCOYUCKQNA-NVQSTNCTSA-N
MW455.62 g/mol
LogP7.44
Rot. Bonds8

About 4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol

4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol (PubChem CID 162672808) has the molecular formula C31H34FNO and a molecular weight of 455.62 g/mol. Its IUPAC name is 4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol
PubChem CID162672808
Molecular FormulaC31H34FNO
Molecular Weight455.62 g/mol
Exact Mass455.26
IUPAC Name4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol
SMILESOc1ccc(/C(=C(\CCCF)c2ccccc2)c2ccc(C3CCN(C4CC4)CC3)cc2)cc1
InChIInChI=1S/C31H34FNO/c32-20-4-7-30(25-5-2-1-3-6-25)31(27-12-16-29(34)17-13-27)26-10-8-23(9-11-26)24-18-21-33(22-19-24)28-14-15-28/h1-3,5-6,8-13,16-17,24,28,34H,4,7,14-15,18-22H2/b31-30+
InChIKeyLSXNUCOYUCKQNA-NVQSTNCTSA-N
XLogP7.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.62
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol?
The IUPAC name of 4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol (CID 162672808) is 4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol?
The canonical SMILES for 4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol is Oc1ccc(/C(=C(\CCCF)c2ccccc2)c2ccc(C3CCN(C4CC4)CC3)cc2)cc1.
What is the InChIKey of 4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol?
The InChIKey is LSXNUCOYUCKQNA-NVQSTNCTSA-N. The full InChI is InChI=1S/C31H34FNO/c32-20-4-7-30(25-5-2-1-3-6-25)31(27-12-16-29(34)17-13-27)26-10-8-23(9-11-26)24-18-21-33(22-19-24)28-14-15-28/h1-3,5-6,8-13,16-17,24,28,34H,4,7,14-15,18-22H2/b31-30+.
What are the key properties of 4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol?
4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol has a molecular weight of 455.62 g/mol, XLogP of 7.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-5-fluoro-2-phenylpent-1-enyl]phenol is sourced from PubChem (CID 162672808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).