4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine

C20H23Cl2NO — CID 57247335

IUPAC4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine
SMILESCC(OCC1(c2ccccc2)CCNCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H23Cl2NO/c1-15(18-13-17(21)7-8-19(18)22)24-14-20(9-11-23-12-10-20)16-5-3-2-4-6-16/h2-8,13,15,23H,9-12,14H2,1H3
InChIKeyDCBZWIIFVLQTJH-UHFFFAOYSA-N
MW364.32 g/mol
LogP5.39
Rot. Bonds5

About 4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine

4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine (PubChem CID 57247335) has the molecular formula C20H23Cl2NO and a molecular weight of 364.32 g/mol. Its IUPAC name is 4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine
PubChem CID57247335
Molecular FormulaC20H23Cl2NO
Molecular Weight364.32 g/mol
Exact Mass363.12
IUPAC Name4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine
SMILESCC(OCC1(c2ccccc2)CCNCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H23Cl2NO/c1-15(18-13-17(21)7-8-19(18)22)24-14-20(9-11-23-12-10-20)16-5-3-2-4-6-16/h2-8,13,15,23H,9-12,14H2,1H3
InChIKeyDCBZWIIFVLQTJH-UHFFFAOYSA-N
XLogP5.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.32
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-chloro-5-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]phenyl]benzonitrile
CID 58993592
7-[1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-5-(trifluoromethyl)-1H-indazole
CID 25159918
4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine
CID 19960203
4-(4-chlorophenyl)-4-(methoxymethyl)piperidine
CID 58117649
6-bromo-3-(cyclopropylmethyl)-4-[(1S)-1-[(4-phenylpiperidin-4-yl)methoxy]ethyl]-1,2-dihydrobenzimidazole
CID 67404044
4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine
CID 54490873
(4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate
CID 167316198
4-(methoxymethyl)-4-(4-propan-2-ylphenyl)piperidine
CID 82480025
4-(4-chlorophenyl)-4-(2-fluoro-2-phenoxyethyl)piperidine;hydrochloride
CID 67463846
CID 89210398
CID 89210398
4-[(3,5-dimethoxyphenyl)methoxymethyl]-4-phenylpiperidine
CID 10499846
1-(2,5-dichlorophenyl)-N-methyl-1-(1-phenylcyclobutyl)methanamine
CID 63417710

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine (CID 57247335) is 4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine is CC(OCC1(c2ccccc2)CCNCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine?
The InChIKey is DCBZWIIFVLQTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO/c1-15(18-13-17(21)7-8-19(18)22)24-14-20(9-11-23-12-10-20)16-5-3-2-4-6-16/h2-8,13,15,23H,9-12,14H2,1H3.
What are the key properties of 4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine?
4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine has a molecular weight of 364.32 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dichlorophenyl)ethoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 57247335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).