4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine

C29H32F3NO4 — CID 18793416

IUPAC4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine
SMILESFC(F)(F)Oc1ccc(COC2CNCCC2c2ccc(OCCCOCc3ccccc3)cc2)cc1
InChIInChI=1S/C29H32F3NO4/c30-29(31,32)37-26-11-7-23(8-12-26)21-36-28-19-33-16-15-27(28)24-9-13-25(14-10-24)35-18-4-17-34-20-22-5-2-1-3-6-22/h1-3,5-14,27-28,33H,4,15-21H2
InChIKeyYRPFKVFZJLPSGX-UHFFFAOYSA-N
MW515.57 g/mol
LogP6.23
Rot. Bonds12

About 4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine

4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine (PubChem CID 18793416) has the molecular formula C29H32F3NO4 and a molecular weight of 515.57 g/mol. Its IUPAC name is 4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine.

Molecular Properties

Compound Name4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine
PubChem CID18793416
Molecular FormulaC29H32F3NO4
Molecular Weight515.57 g/mol
Exact Mass515.23
IUPAC Name4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine
SMILESFC(F)(F)Oc1ccc(COC2CNCCC2c2ccc(OCCCOCc3ccccc3)cc2)cc1
InChIInChI=1S/C29H32F3NO4/c30-29(31,32)37-26-11-7-23(8-12-26)21-36-28-19-33-16-15-27(28)24-9-13-25(14-10-24)35-18-4-17-34-20-22-5-2-1-3-6-22/h1-3,5-14,27-28,33H,4,15-21H2
InChIKeyYRPFKVFZJLPSGX-UHFFFAOYSA-N
XLogP6.23
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.57
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 100967467
6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol;hydrochloride
CID 22128155
7-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-ol;hydrochloride
CID 22126300
4-[4-[3-[(4-iodophenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22127509
4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-ol
CID 70091294
3-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-1-ol
CID 22127202
(3S,4S)-3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine
CID 100967460
3-[(2-bromo-5-fluorophenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine;hydrochloride
CID 22128778
4-[4-[3-[(3-methylphenyl)methoxy]propoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 22128752
(2R)-3-[[7-[[(3R,4S)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]methoxy]propane-1,2-diol
CID 10232057
3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine
CID 22127679
4-[2-[6-[[4-[4-(3-phenylmethoxypropoxy)phenyl]piperidin-3-yl]oxymethyl]naphthalen-2-yl]oxyethyl]morpholine
CID 22126613

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine?
The IUPAC name of 4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine (CID 18793416) is 4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine.
What is the SMILES notation for 4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine?
The canonical SMILES for 4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine is FC(F)(F)Oc1ccc(COC2CNCCC2c2ccc(OCCCOCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine?
The InChIKey is YRPFKVFZJLPSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3NO4/c30-29(31,32)37-26-11-7-23(8-12-26)21-36-28-19-33-16-15-27(28)24-9-13-25(14-10-24)35-18-4-17-34-20-22-5-2-1-3-6-22/h1-3,5-14,27-28,33H,4,15-21H2.
What are the key properties of 4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine?
4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine has a molecular weight of 515.57 g/mol, XLogP of 6.23, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine is sourced from PubChem (CID 18793416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).