4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine

C29H34FNO2 — CID 143838823

IUPAC4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine
SMILESCCOC1CN(Cc2ccc(F)cc2)CCC1CCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34FNO2/c1-2-32-28-22-31(21-23-13-15-27(30)16-14-23)19-17-24(28)18-20-33-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,24,28-29H,2,17-22H2,1H3
InChIKeyBKKXNWALYYQEKZ-UHFFFAOYSA-N
MW447.59 g/mol
LogP6.25
Rot. Bonds10

About 4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine

4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine (PubChem CID 143838823) has the molecular formula C29H34FNO2 and a molecular weight of 447.59 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine
PubChem CID143838823
Molecular FormulaC29H34FNO2
Molecular Weight447.59 g/mol
Exact Mass447.26
IUPAC Name4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine
SMILESCCOC1CN(Cc2ccc(F)cc2)CCC1CCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34FNO2/c1-2-32-28-22-31(21-23-13-15-27(30)16-14-23)19-17-24(28)18-20-33-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,24,28-29H,2,17-22H2,1H3
InChIKeyBKKXNWALYYQEKZ-UHFFFAOYSA-N
XLogP6.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.59
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzhydryloxybutyl)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 143838819
1-benzyl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine
CID 10025195
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-fluorophenyl)methyl]piperidine
CID 11016872
[2-[4-(2-benzhydryloxyethyl)-3-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)ethyl] acetate
CID 69236553
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
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(3R)-3-phenylbutyl]piperidine
CID 11628203
4-(2-benzhydryloxyethyl)-1-(2-hydroxy-2-phenylethyl)piperidin-3-ol
CID 74937017
(1S)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-ol
CID 10027543
ethyl 2-[(3S,4R)-1-[4-[(4-fluorophenyl)-phenylmethoxy]butyl]-3-methylpiperidin-4-yl]acetate
CID 10646821
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
(2S)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-3-phenylpropan-2-amine
CID 11650367

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine?
The IUPAC name of 4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine (CID 143838823) is 4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine is CCOC1CN(Cc2ccc(F)cc2)CCC1CCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine?
The InChIKey is BKKXNWALYYQEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FNO2/c1-2-32-28-22-31(21-23-13-15-27(30)16-14-23)19-17-24(28)18-20-33-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,24,28-29H,2,17-22H2,1H3.
What are the key properties of 4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine?
4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine has a molecular weight of 447.59 g/mol, XLogP of 6.25, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-3-ethoxy-1-[(4-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 143838823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).