4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine;hydrochloride

C14H20Cl3NO — CID 71812204

IUPAC4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine;hydrochloride
SMILESCOC[C@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C14H19Cl2NO.ClH/c1-18-9-12(10-4-6-17-7-5-10)11-2-3-13(15)14(16)8-11;/h2-3,8,10,12,17H,4-7,9H2,1H3;1H/t12-;/m0./s1
InChIKeyPLAKLZGCXGCZCY-YDALLXLXSA-N
MW324.68 g/mol
LogP4.14
Rot. Bonds4

About 4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine;hydrochloride

4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine;hydrochloride (PubChem CID 71812204) has the molecular formula C14H20Cl3NO and a molecular weight of 324.68 g/mol. Its IUPAC name is 4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine;hydrochloride
PubChem CID71812204
Molecular FormulaC14H20Cl3NO
Molecular Weight324.68 g/mol
Exact Mass323.06
IUPAC Name4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine;hydrochloride
SMILESCOC[C@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C14H19Cl2NO.ClH/c1-18-9-12(10-4-6-17-7-5-10)11-2-3-13(15)14(16)8-11;/h2-3,8,10,12,17H,4-7,9H2,1H3;1H/t12-;/m0./s1
InChIKeyPLAKLZGCXGCZCY-YDALLXLXSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.68
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine;hydrochloride?
The IUPAC name of 4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine;hydrochloride (CID 71812204) is 4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine;hydrochloride is COC[C@H](c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of 4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine;hydrochloride?
The InChIKey is PLAKLZGCXGCZCY-YDALLXLXSA-N. The full InChI is InChI=1S/C14H19Cl2NO.ClH/c1-18-9-12(10-4-6-17-7-5-10)11-2-3-13(15)14(16)8-11;/h2-3,8,10,12,17H,4-7,9H2,1H3;1H/t12-;/m0./s1.
What are the key properties of 4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine;hydrochloride?
4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine;hydrochloride has a molecular weight of 324.68 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine;hydrochloride is sourced from PubChem (CID 71812204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).