1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine

C21H26ClNO — CID 3064275

IUPAC1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine
SMILESCC(OCCN1CCCCC1)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClNO/c1-21(18-8-4-2-5-9-18,19-10-12-20(22)13-11-19)24-17-16-23-14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-17H2,1H3
InChIKeyZBQFYVCEMFKBLW-UHFFFAOYSA-N
MW343.90 g/mol
LogP5.11
Rot. Bonds6

About 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine

1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine (PubChem CID 3064275) has the molecular formula C21H26ClNO and a molecular weight of 343.90 g/mol. Its IUPAC name is 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine
PubChem CID3064275
Molecular FormulaC21H26ClNO
Molecular Weight343.90 g/mol
Exact Mass343.17
IUPAC Name1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine
SMILESCC(OCCN1CCCCC1)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClNO/c1-21(18-8-4-2-5-9-18,19-10-12-20(22)13-11-19)24-17-16-23-14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-17H2,1H3
InChIKeyZBQFYVCEMFKBLW-UHFFFAOYSA-N
XLogP5.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.90
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Clemastine
CID 26987
Cloperastine
CID 2805
Chlorphenoxamine
CID 6475
Cloperastine Hydrochloride
CID 161104
Diphenylpyraline Hydrochloride
CID 66063
Clobenztropine
CID 1687
Clofenetamine
CID 71812
Chlorbenzoxamine
CID 71636
2-[2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
CID 2781
Chlorphenoxamine Hydrochloride
CID 11223
SL 6057
CID 203135
Mecloxamine
CID 3045406

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine (CID 3064275) is 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine is CC(OCCN1CCCCC1)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine?
The InChIKey is ZBQFYVCEMFKBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO/c1-21(18-8-4-2-5-9-18,19-10-12-20(22)13-11-19)24-17-16-23-14-6-3-7-15-23/h2,4-5,8-13H,3,6-7,14-17H2,1H3.
What are the key properties of 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine?
1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine has a molecular weight of 343.90 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperidine is sourced from PubChem (CID 3064275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).