(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(1H-imidazol-2-ylmethyl)-2-phenylpiperidine

C24H23F6N3O — CID 10814682

IUPAC(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(1H-imidazol-2-ylmethyl)-2-phenylpiperidine
SMILESFC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ncc[nH]3)C2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H23F6N3O/c25-23(26,27)18-11-16(12-19(13-18)24(28,29)30)15-34-20-7-4-10-33(14-21-31-8-9-32-21)22(20)17-5-2-1-3-6-17/h1-3,5-6,8-9,11-13,20,22H,4,7,10,14-15H2,(H,31,32)/t20-,22?/m0/s1
InChIKeyHBAPMWYWEYPKLS-AIBWNMTMSA-N
MW483.46 g/mol
LogP6.37
Rot. Bonds6

About (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(1H-imidazol-2-ylmethyl)-2-phenylpiperidine

(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(1H-imidazol-2-ylmethyl)-2-phenylpiperidine (PubChem CID 10814682) has the molecular formula C24H23F6N3O and a molecular weight of 483.46 g/mol. Its IUPAC name is (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(1H-imidazol-2-ylmethyl)-2-phenylpiperidine.

Molecular Properties

Compound Name(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(1H-imidazol-2-ylmethyl)-2-phenylpiperidine
PubChem CID10814682
Molecular FormulaC24H23F6N3O
Molecular Weight483.46 g/mol
Exact Mass483.17
IUPAC Name(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(1H-imidazol-2-ylmethyl)-2-phenylpiperidine
SMILESFC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ncc[nH]3)C2c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H23F6N3O/c25-23(26,27)18-11-16(12-19(13-18)24(28,29)30)15-34-20-7-4-10-33(14-21-31-8-9-32-21)22(20)17-5-2-1-3-6-17/h1-3,5-6,8-9,11-13,20,22H,4,7,10,14-15H2,(H,31,32)/t20-,22?/m0/s1
InChIKeyHBAPMWYWEYPKLS-AIBWNMTMSA-N
XLogP6.37
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.46
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(1H-imidazol-2-ylmethyl)-2-phenylpiperidine?
The IUPAC name of (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(1H-imidazol-2-ylmethyl)-2-phenylpiperidine (CID 10814682) is (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(1H-imidazol-2-ylmethyl)-2-phenylpiperidine.
What is the SMILES notation for (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(1H-imidazol-2-ylmethyl)-2-phenylpiperidine?
The canonical SMILES for (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(1H-imidazol-2-ylmethyl)-2-phenylpiperidine is FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ncc[nH]3)C2c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(1H-imidazol-2-ylmethyl)-2-phenylpiperidine?
The InChIKey is HBAPMWYWEYPKLS-AIBWNMTMSA-N. The full InChI is InChI=1S/C24H23F6N3O/c25-23(26,27)18-11-16(12-19(13-18)24(28,29)30)15-34-20-7-4-10-33(14-21-31-8-9-32-21)22(20)17-5-2-1-3-6-17/h1-3,5-6,8-9,11-13,20,22H,4,7,10,14-15H2,(H,31,32)/t20-,22?/m0/s1.
What are the key properties of (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(1H-imidazol-2-ylmethyl)-2-phenylpiperidine?
(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(1H-imidazol-2-ylmethyl)-2-phenylpiperidine has a molecular weight of 483.46 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(1H-imidazol-2-ylmethyl)-2-phenylpiperidine is sourced from PubChem (CID 10814682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).