4-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

C24H26F3N3O — CID 58993481

IUPAC4-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESCn1cc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C24H26F3N3O/c1-30-15-20(14-29-30)19-11-18(12-22(13-19)24(25,26)27)16-31-17-23(7-9-28-10-8-23)21-5-3-2-4-6-21/h2-6,11-15,28H,7-10,16-17H2,1H3
InChIKeyWQLLMSGSFPEYMO-UHFFFAOYSA-N
MW429.49 g/mol
LogP4.94
Rot. Bonds6

About 4-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine

4-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (PubChem CID 58993481) has the molecular formula C24H26F3N3O and a molecular weight of 429.49 g/mol. Its IUPAC name is 4-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
PubChem CID58993481
Molecular FormulaC24H26F3N3O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Name4-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
SMILESCn1cc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C24H26F3N3O/c1-30-15-20(14-29-30)19-11-18(12-22(13-19)24(25,26)27)16-31-17-23(7-9-28-10-8-23)21-5-3-2-4-6-21/h2-6,11-15,28H,7-10,16-17H2,1H3
InChIKeyWQLLMSGSFPEYMO-UHFFFAOYSA-N
XLogP4.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 44529536
CID 44529536
CID 44529538
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CID 24785441
CID 24785441
CID 25159782
CID 25159782
CID 25159783
CID 25159783
CID 25159787
CID 25159787
CID 25159917
CID 25159917
CID 25159922
CID 25159922
CID 57545961
CID 57545961
CID 67013609
CID 67013609
CID 71272825
CID 71272825
CID 121281014
CID 121281014

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine (CID 58993481) is 4-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is Cn1cc(-c2cc(COCC3(c4ccccc4)CCNCC3)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 4-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
The InChIKey is WQLLMSGSFPEYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O/c1-30-15-20(14-29-30)19-11-18(12-22(13-19)24(25,26)27)16-31-17-23(7-9-28-10-8-23)21-5-3-2-4-6-21/h2-6,11-15,28H,7-10,16-17H2,1H3.
What are the key properties of 4-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine?
4-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine has a molecular weight of 429.49 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 58993481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).