3-(benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine

C24H29N3O — CID 44529535

IUPAC3-(benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCn1cc(CN2CCCC(COC(c3ccccc3)c3ccccc3)C2)cn1
InChIInChI=1S/C24H29N3O/c1-26-16-21(15-25-26)18-27-14-8-9-20(17-27)19-28-24(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-13,15-16,20,24H,8-9,14,17-19H2,1H3
InChIKeyFEDCAJUDSUWPAP-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.44
Rot. Bonds7

About 3-(benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine

3-(benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine (PubChem CID 44529535) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-(benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-(benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
PubChem CID44529535
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name3-(benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCn1cc(CN2CCCC(COC(c3ccccc3)c3ccccc3)C2)cn1
InChIInChI=1S/C24H29N3O/c1-26-16-21(15-25-26)18-27-14-8-9-20(17-27)19-28-24(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-13,15-16,20,24H,8-9,14,17-19H2,1H3
InChIKeyFEDCAJUDSUWPAP-UHFFFAOYSA-N
XLogP4.44
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-1'-(3-phenylpropyl)spiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25061063
1'-Benzyl-1-methylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
CID 25060565
3-[Bis(4-fluorophenyl)methoxymethyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529536
4-(2-Benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529538
4-[(4-Chlorophenyl)-phenylmethoxy]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529676
US9963444, Example 102
CID 118524808
US10617680, Example 56
CID 135355347
2-(3-fluorobenzyl)-4-[(1-methyl-1H-pyrazol-4-yl)methyl]morpholine
CID 45190633
1-Phenylmethoxy-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 53548676
1-[(2-Fluorophenyl)methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 53548700
2-[4-[(4-Methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol
CID 56780672
1-(4-Fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 56780676

Frequently Asked Questions

What is the IUPAC name of 3-(benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 3-(benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine (CID 44529535) is 3-(benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 3-(benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 3-(benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine is Cn1cc(CN2CCCC(COC(c3ccccc3)c3ccccc3)C2)cn1.
What is the InChIKey of 3-(benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The InChIKey is FEDCAJUDSUWPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-26-16-21(15-25-26)18-27-14-8-9-20(17-27)19-28-24(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-13,15-16,20,24H,8-9,14,17-19H2,1H3.
What are the key properties of 3-(benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
3-(benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine has a molecular weight of 375.52 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzhydryloxymethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 44529535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).