4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine

C30H29F2NO — CID 14407118

IUPAC4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine
SMILESFc1ccc(C(c2ccc(F)cc2)C2CCN(CCOc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C30H29F2NO/c31-27-10-5-23(6-11-27)30(24-7-12-28(32)13-8-24)25-15-17-33(18-16-25)19-20-34-29-14-9-22-3-1-2-4-26(22)21-29/h1-14,21,25,30H,15-20H2
InChIKeyWSQNLPBESBYNDO-UHFFFAOYSA-N
MW457.56 g/mol
LogP7.04
Rot. Bonds7

About 4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine

4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine (PubChem CID 14407118) has the molecular formula C30H29F2NO and a molecular weight of 457.56 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine
PubChem CID14407118
Molecular FormulaC30H29F2NO
Molecular Weight457.56 g/mol
Exact Mass457.22
IUPAC Name4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine
SMILESFc1ccc(C(c2ccc(F)cc2)C2CCN(CCOc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C30H29F2NO/c31-27-10-5-23(6-11-27)30(24-7-12-28(32)13-8-24)25-15-17-33(18-16-25)19-20-34-29-14-9-22-3-1-2-4-26(22)21-29/h1-14,21,25,30H,15-20H2
InChIKeyWSQNLPBESBYNDO-UHFFFAOYSA-N
XLogP7.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[(4-fluorophenyl)-[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methyl]aniline
CID 19771927
4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine
CID 14407082
3,4-difluoro-N-[(4-fluorophenyl)-[1-(3-naphthalen-2-yloxypropyl)piperidin-4-yl]methyl]aniline
CID 19772012
4-[2-[4-(1-naphthalen-2-ylethyl)piperidin-1-yl]ethoxy]phenol
CID 70081398
[1-(2-naphthalen-2-yloxyethyl)piperidin-4-yl]methanamine
CID 28803272
1-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]ethanone
CID 14407097
1-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]-2-methoxyphenyl]ethanone
CID 15093874
1-[1-(4-fluorophenyl)-2-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]ethyl]-4-propan-2-ylpiperazine
CID 44528908
N-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide
CID 14407113
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 10737302
methyl 1-(2-naphthalen-2-yloxyethyl)piperidine-4-carboxylate
CID 10380866
4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]aniline;but-2-enedioic acid;hydrate
CID 70392622

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine?
The IUPAC name of 4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine (CID 14407118) is 4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine?
The canonical SMILES for 4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine is Fc1ccc(C(c2ccc(F)cc2)C2CCN(CCOc3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of 4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine?
The InChIKey is WSQNLPBESBYNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2NO/c31-27-10-5-23(6-11-27)30(24-7-12-28(32)13-8-24)25-15-17-33(18-16-25)19-20-34-29-14-9-22-3-1-2-4-26(22)21-29/h1-14,21,25,30H,15-20H2.
What are the key properties of 4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine?
4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine has a molecular weight of 457.56 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine is sourced from PubChem (CID 14407118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).