4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine

C29H35NO2 — CID 656768

IUPAC4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine
SMILESCOc1ccc(CCCN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H35NO2/c1-31-28-16-14-24(15-17-28)9-8-20-30-21-18-25(19-22-30)23-32-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-7,10-17,25,29H,8-9,18-23H2,1H3
InChIKeyWRTXEGOLODUQIE-UHFFFAOYSA-N
MW429.60 g/mol
LogP6.15
Rot. Bonds10

About 4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine

4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine (PubChem CID 656768) has the molecular formula C29H35NO2 and a molecular weight of 429.60 g/mol. Its IUPAC name is 4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine.

Molecular Properties

Compound Name4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine
PubChem CID656768
Molecular FormulaC29H35NO2
Molecular Weight429.60 g/mol
Exact Mass429.27
IUPAC Name4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine
SMILESCOc1ccc(CCCN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H35NO2/c1-31-28-16-14-24(15-17-28)9-8-20-30-21-18-25(19-22-30)23-32-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-7,10-17,25,29H,8-9,18-23H2,1H3
InChIKeyWRTXEGOLODUQIE-UHFFFAOYSA-N
XLogP6.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.60
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine?
The IUPAC name of 4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine (CID 656768) is 4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine.
What is the SMILES notation for 4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine?
The canonical SMILES for 4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine is COc1ccc(CCCN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine?
The InChIKey is WRTXEGOLODUQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO2/c1-31-28-16-14-24(15-17-28)9-8-20-30-21-18-25(19-22-30)23-32-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-7,10-17,25,29H,8-9,18-23H2,1H3.
What are the key properties of 4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine?
4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine has a molecular weight of 429.60 g/mol, XLogP of 6.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine is sourced from PubChem (CID 656768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).