1-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethyl)piperidine;hydrochloride

C21H27Cl2N — CID 127043068

IUPAC1-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethyl)piperidine;hydrochloride
SMILESCl.Clc1ccccc1CCN1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C21H26ClN.ClH/c22-21-9-5-4-8-20(21)14-17-23-15-12-19(13-16-23)11-10-18-6-2-1-3-7-18;/h1-9,19H,10-17H2;1H
InChIKeyRMNZNCINFAGQOI-UHFFFAOYSA-N
MW364.36 g/mol
LogP5.65
Rot. Bonds6

About 1-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethyl)piperidine;hydrochloride

1-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethyl)piperidine;hydrochloride (PubChem CID 127043068) has the molecular formula C21H27Cl2N and a molecular weight of 364.36 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethyl)piperidine;hydrochloride
PubChem CID127043068
Molecular FormulaC21H27Cl2N
Molecular Weight364.36 g/mol
Exact Mass363.15
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethyl)piperidine;hydrochloride
SMILESCl.Clc1ccccc1CCN1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C21H26ClN.ClH/c22-21-9-5-4-8-20(21)14-17-23-15-12-19(13-16-23)11-10-18-6-2-1-3-7-18;/h1-9,19H,10-17H2;1H
InChIKeyRMNZNCINFAGQOI-UHFFFAOYSA-N
XLogP5.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.36
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Chlorcyclizine Hydrochloride
CID 62413
4-Benzyl-1-(4-phenylbutyl)piperidine
CID 11722772
4-Benzyl-1-(3-phenylpropyl)piperidine
CID 23294399
1-(2,2-Diphenylethyl)piperidine
CID 239702
(3S,4S)-4-(4-Chlorophenyl)-1-methyl-3-propylpiperidine
CID 9837874
4-(4-Chlorophenyl)-1-propylpiperidine
CID 70686262
Piperidine, 1-(3,3-diphenylpropyl)-, hydrochloride (1:1)
CID 197784
3-Phenyl-1-(5-phenylpentyl)piperidine
CID 137639758
2-(2-Chlorophenyl)-N,N-dimethylethanamine
CID 176468
1-(Bis(4-chlorophenyl)methyl)-4-methylpiperazine
CID 3065515
4-Benzyl-1-phenethyl-piperidine
CID 10591473
(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-3-propyl-piperidine
CID 10682211

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethyl)piperidine;hydrochloride?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethyl)piperidine;hydrochloride (CID 127043068) is 1-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethyl)piperidine;hydrochloride.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethyl)piperidine;hydrochloride?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethyl)piperidine;hydrochloride is Cl.Clc1ccccc1CCN1CCC(CCc2ccccc2)CC1.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethyl)piperidine;hydrochloride?
The InChIKey is RMNZNCINFAGQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN.ClH/c22-21-9-5-4-8-20(21)14-17-23-15-12-19(13-16-23)11-10-18-6-2-1-3-7-18;/h1-9,19H,10-17H2;1H.
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethyl)piperidine;hydrochloride?
1-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethyl)piperidine;hydrochloride has a molecular weight of 364.36 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-4-(2-phenylethyl)piperidine;hydrochloride is sourced from PubChem (CID 127043068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).