1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine

C27H29F2NO — CID 10025195

IUPAC1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
SMILESFc1ccc(C(OCCC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H29F2NO/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)31-19-16-21-14-17-30(18-15-21)20-22-4-2-1-3-5-22/h1-13,21,27H,14-20H2
InChIKeyLEJRLSZVESQKJK-UHFFFAOYSA-N
MW421.53 g/mol
LogP6.37
Rot. Bonds8

About 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine

1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine (PubChem CID 10025195) has the molecular formula C27H29F2NO and a molecular weight of 421.53 g/mol. Its IUPAC name is 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
PubChem CID10025195
Molecular FormulaC27H29F2NO
Molecular Weight421.53 g/mol
Exact Mass421.22
IUPAC Name1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
SMILESFc1ccc(C(OCCC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H29F2NO/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)31-19-16-21-14-17-30(18-15-21)20-22-4-2-1-3-5-22/h1-13,21,27H,14-20H2
InChIKeyLEJRLSZVESQKJK-UHFFFAOYSA-N
XLogP6.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.53
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine
CID 11016872
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-bromophenyl)methyl]piperidine
CID 10875649
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-(naphthalen-2-ylmethyl)piperidine
CID 10367506
(2S)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3-phenylpropan-2-amine
CID 11650367
(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-[(3R)-3-phenylbutyl]piperidine
CID 11628203
4-(2-benzhydryloxyethyl)-1-(2-phenylethyl)piperidine
CID 10046504
4-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-1-(3-phenylpropyl)piperidine
CID 10812888
4-(2-benzhydryloxyethyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 44529538
1-[(4-fluorophenyl)methyl]-4-(2-phenylperoxyethyl)piperidine
CID 90197963
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;but-2-enedioic acid
CID 70573507
4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine
CID 101165281

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine?
The IUPAC name of 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine (CID 10025195) is 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine.
What is the SMILES notation for 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine?
The canonical SMILES for 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine is Fc1ccc(C(OCCC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine?
The InChIKey is LEJRLSZVESQKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2NO/c28-25-10-6-23(7-11-25)27(24-8-12-26(29)13-9-24)31-19-16-21-14-17-30(18-15-21)20-22-4-2-1-3-5-22/h1-13,21,27H,14-20H2.
What are the key properties of 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine?
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine has a molecular weight of 421.53 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine is sourced from PubChem (CID 10025195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).