5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine

C30H34F3N3O — CID 58993699

IUPAC5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc(C3CCNCC3)nc2)c1
InChIInChI=1S/C30H34F3N3O/c31-30(32,33)27-17-22(20-37-21-29(10-14-35-15-11-29)26-4-2-1-3-5-26)16-25(18-27)24-6-7-28(36-19-24)23-8-12-34-13-9-23/h1-7,16-19,23,34-35H,8-15,20-21H2
InChIKeyHCRIPQRQRLJAFV-UHFFFAOYSA-N
MW509.62 g/mol
LogP6.07
Rot. Bonds7

About 5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine

5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine (PubChem CID 58993699) has the molecular formula C30H34F3N3O and a molecular weight of 509.62 g/mol. Its IUPAC name is 5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine.

Molecular Properties

Compound Name5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine
PubChem CID58993699
Molecular FormulaC30H34F3N3O
Molecular Weight509.62 g/mol
Exact Mass509.27
IUPAC Name5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine
SMILESFC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc(C3CCNCC3)nc2)c1
InChIInChI=1S/C30H34F3N3O/c31-30(32,33)27-17-22(20-37-21-29(10-14-35-15-11-29)26-4-2-1-3-5-26)16-25(18-27)24-6-7-28(36-19-24)23-8-12-34-13-9-23/h1-7,16-19,23,34-35H,8-15,20-21H2
InChIKeyHCRIPQRQRLJAFV-UHFFFAOYSA-N
XLogP6.07
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.62
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine?
The IUPAC name of 5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine (CID 58993699) is 5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine.
What is the SMILES notation for 5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine?
The canonical SMILES for 5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine is FC(F)(F)c1cc(COCC2(c3ccccc3)CCNCC2)cc(-c2ccc(C3CCNCC3)nc2)c1.
What is the InChIKey of 5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine?
The InChIKey is HCRIPQRQRLJAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3N3O/c31-30(32,33)27-17-22(20-37-21-29(10-14-35-15-11-29)26-4-2-1-3-5-26)16-25(18-27)24-6-7-28(36-19-24)23-8-12-34-13-9-23/h1-7,16-19,23,34-35H,8-15,20-21H2.
What are the key properties of 5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine?
5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine has a molecular weight of 509.62 g/mol, XLogP of 6.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]-2-piperidin-4-ylpyridine is sourced from PubChem (CID 58993699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).