4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine

C27H32FNOS — CID 10812888

IUPAC4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine
SMILESFc1ccc(C(OCCC2CCN(CCCc3ccccc3)CC2)c2cccs2)cc1
InChIInChI=1S/C27H32FNOS/c28-25-12-10-24(11-13-25)27(26-9-5-21-31-26)30-20-16-23-14-18-29(19-15-23)17-4-8-22-6-2-1-3-7-22/h1-3,5-7,9-13,21,23,27H,4,8,14-20H2
InChIKeyZGIZBOLECRDANC-UHFFFAOYSA-N
MW437.62 g/mol
LogP6.73
Rot. Bonds10

About 4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine

4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine (PubChem CID 10812888) has the molecular formula C27H32FNOS and a molecular weight of 437.62 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine
PubChem CID10812888
Molecular FormulaC27H32FNOS
Molecular Weight437.62 g/mol
Exact Mass437.22
IUPAC Name4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine
SMILESFc1ccc(C(OCCC2CCN(CCCc3ccccc3)CC2)c2cccs2)cc1
InChIInChI=1S/C27H32FNOS/c28-25-12-10-24(11-13-25)27(26-9-5-21-31-26)30-20-16-23-14-18-29(19-15-23)17-4-8-22-6-2-1-3-7-22/h1-3,5-7,9-13,21,23,27H,4,8,14-20H2
InChIKeyZGIZBOLECRDANC-UHFFFAOYSA-N
XLogP6.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.62
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[bis(4-bromophenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
CID 10507287
4-[2-[bis(4-methoxyphenyl)methoxy]ethyl]-1-(3-phenylpropyl)piperidine
CID 11798707
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
CID 10025195
4-[2-(4-fluorophenyl)sulfanylethyl]-1-(3-phenylpropyl)piperidine
CID 142912990
4-(2-benzhydryloxyethyl)-1-(2-phenylethyl)piperidine
CID 10046504
(2S)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3-phenylpropan-2-amine
CID 11650367
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(3R)-3-phenylbutyl]piperidine
CID 11628203
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;sulfuric acid
CID 10239703
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine
CID 11016872
(2S)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3-phenylpropan-2-amine;oxalic acid
CID 11650366
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-(naphthalen-2-ylmethyl)piperidine
CID 10367506
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine
CID 10875649

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine?
The IUPAC name of 4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine (CID 10812888) is 4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine?
The canonical SMILES for 4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine is Fc1ccc(C(OCCC2CCN(CCCc3ccccc3)CC2)c2cccs2)cc1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine?
The InChIKey is ZGIZBOLECRDANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FNOS/c28-25-12-10-24(11-13-25)27(26-9-5-21-31-26)30-20-16-23-14-18-29(19-15-23)17-4-8-22-6-2-1-3-7-22/h1-3,5-7,9-13,21,23,27H,4,8,14-20H2.
What are the key properties of 4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine?
4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine has a molecular weight of 437.62 g/mol, XLogP of 6.73, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine is sourced from PubChem (CID 10812888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).