4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine

C25H31N3O — CID 44529538

IUPAC4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCn1cc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cn1
InChIInChI=1S/C25H31N3O/c1-27-19-22(18-26-27)20-28-15-12-21(13-16-28)14-17-29-25(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,18-19,21,25H,12-17,20H2,1H3
InChIKeyWAJGXAJDYIYWQW-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.83
Rot. Bonds8

About 4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine

4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine (PubChem CID 44529538) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
PubChem CID44529538
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
SMILESCn1cc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cn1
InChIInChI=1S/C25H31N3O/c1-27-19-22(18-26-27)20-28-15-12-21(13-16-28)14-17-29-25(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,18-19,21,25H,12-17,20H2,1H3
InChIKeyWAJGXAJDYIYWQW-UHFFFAOYSA-N
XLogP4.83
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-benzhydryloxyethyl)-1-(2-phenylethyl)piperidine
CID 10046504
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
CID 10025195
1-(2-benzhydryloxyethyl)-4-benzylpiperidine
CID 127026610
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine
CID 11016872
2-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]-6-methoxyphenol
CID 44529534
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(3R)-3-phenylbutyl]piperidine
CID 11628203
1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine
CID 45205063
4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
CID 11798707
4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
CID 10507287
3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-1-(furan-2-yl)propan-1-one
CID 170859253
4-bromo-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 80680049
(2R)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 95309346

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine (CID 44529538) is 4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine is Cn1cc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cn1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
The InChIKey is WAJGXAJDYIYWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-27-19-22(18-26-27)20-28-15-12-21(13-16-28)14-17-29-25(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,18-19,21,25H,12-17,20H2,1H3.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine?
4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine has a molecular weight of 389.54 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 44529538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).