4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane

C29H37NO2 — CID 159926566

IUPAC4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane
SMILESCOc1ccc(CCN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1.[3H]C
InChIInChI=1S/C28H33NO2.CH4/c1-30-27-14-12-23(13-15-27)16-19-29-20-17-24(18-21-29)22-31-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26;/h2-15,24,28H,16-22H2,1H3;1H4/i;1T
InChIKeyNZBWJNSIYWXBSN-WMTCLNHOSA-N
MW433.63 g/mol
LogP6.39
Rot. Bonds9

About 4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane

4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane (PubChem CID 159926566) has the molecular formula C29H37NO2 and a molecular weight of 433.63 g/mol. Its IUPAC name is 4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane.

Molecular Properties

Compound Name4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane
PubChem CID159926566
Molecular FormulaC29H37NO2
Molecular Weight433.63 g/mol
Exact Mass433.29
IUPAC Name4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane
SMILESCOc1ccc(CCN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1.[3H]C
InChIInChI=1S/C28H33NO2.CH4/c1-30-27-14-12-23(13-15-27)16-19-29-20-17-24(18-21-29)22-31-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26;/h2-15,24,28H,16-22H2,1H3;1H4/i;1T
InChIKeyNZBWJNSIYWXBSN-WMTCLNHOSA-N
XLogP6.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.63
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
CID 11798707
2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine
CID 54215740
4-(2-benzhydryloxyethyl)-1-(2-phenylethyl)piperidine
CID 10046504
4-[2-(2-methoxyphenyl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 127043268
(2S)-2-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]pyrrolidine;(2S)-2-[bis(4-chlorophenyl)methoxymethyl]-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine;(2S)-2-[bis(4-methoxyphenyl)methoxymethyl]-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 159429693
(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
CID 54146924
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 171910981
pentakis(1-benzhydryl-2-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]benzimidazole);oxalic acid
CID 173361769
1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
CID 127043453
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
4-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-2H-phthalazin-1-one
CID 58188835

Frequently Asked Questions

What is the IUPAC name of 4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane?
The IUPAC name of 4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane (CID 159926566) is 4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane.
What is the SMILES notation for 4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane?
The canonical SMILES for 4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane is COc1ccc(CCN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1.[3H]C.
What is the InChIKey of 4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane?
The InChIKey is NZBWJNSIYWXBSN-WMTCLNHOSA-N. The full InChI is InChI=1S/C28H33NO2.CH4/c1-30-27-14-12-23(13-15-27)16-19-29-20-17-24(18-21-29)22-31-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26;/h2-15,24,28H,16-22H2,1H3;1H4/i;1T.
What are the key properties of 4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane?
4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane has a molecular weight of 433.63 g/mol, XLogP of 6.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane is sourced from PubChem (CID 159926566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).