4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine

C30H29F2NOS — CID 15288255

IUPAC4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine
SMILESCc1cc(-c2ccccc2)sc1OCN1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C30H29F2NOS/c1-21-19-28(22-5-3-2-4-6-22)35-30(21)34-20-33-17-15-25(16-18-33)29(23-7-11-26(31)12-8-23)24-9-13-27(32)14-10-24/h2-14,19,25,29H,15-18,20H2,1H3
InChIKeyWAPWAVVYACIRTQ-UHFFFAOYSA-N
MW489.63 g/mol
LogP7.88
Rot. Bonds7

About 4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine

4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine (PubChem CID 15288255) has the molecular formula C30H29F2NOS and a molecular weight of 489.63 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine
PubChem CID15288255
Molecular FormulaC30H29F2NOS
Molecular Weight489.63 g/mol
Exact Mass489.19
IUPAC Name4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine
SMILESCc1cc(-c2ccccc2)sc1OCN1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C30H29F2NOS/c1-21-19-28(22-5-3-2-4-6-22)35-30(21)34-20-33-17-15-25(16-18-33)29(23-7-11-26(31)12-8-23)24-9-13-27(32)14-10-24/h2-14,19,25,29H,15-18,20H2,1H3
InChIKeyWAPWAVVYACIRTQ-UHFFFAOYSA-N
XLogP7.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.63
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzhydryl-1-[(3-methyl-5-phenylthiophen-2-yl)methyl]piperidine
CID 15288254
4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine
CID 14407082
4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine
CID 14407118
4-benzhydryl-1-[(3-methyl-5-phenylfuran-2-yl)methyl]piperidine;dihydrochloride
CID 19430391
4-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine
CID 139510512
[4-[(1-benzylpiperidin-4-yl)-(3-fluorophenyl)methyl]phenyl]carbamic acid
CID 23435913
4-benzhydryl-1-[[3-methyl-5-(4-methylphenyl)furan-2-yl]methyl]piperidine;hydrochloride
CID 70076896
1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol
CID 138959567
ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane
CID 158654311
2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 59104361
1-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]ethanone
CID 14407097
1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene
CID 169434588

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine?
The IUPAC name of 4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine (CID 15288255) is 4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine?
The canonical SMILES for 4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine is Cc1cc(-c2ccccc2)sc1OCN1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine?
The InChIKey is WAPWAVVYACIRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2NOS/c1-21-19-28(22-5-3-2-4-6-22)35-30(21)34-20-33-17-15-25(16-18-33)29(23-7-11-26(31)12-8-23)24-9-13-27(32)14-10-24/h2-14,19,25,29H,15-18,20H2,1H3.
What are the key properties of 4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine?
4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine has a molecular weight of 489.63 g/mol, XLogP of 7.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-fluorophenyl)methyl]-1-[(3-methyl-5-phenylthiophen-2-yl)oxymethyl]piperidine is sourced from PubChem (CID 15288255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).