4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine

C13H17Cl2NO — CID 141087893

IUPAC4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine
SMILESCOCN1CCC(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H17Cl2NO/c1-17-9-16-6-4-10(5-7-16)11-2-3-12(14)13(15)8-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyKIPNMKHPNQMMLV-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.78
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine

4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine (PubChem CID 141087893) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine
PubChem CID141087893
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine
SMILESCOCN1CCC(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H17Cl2NO/c1-17-9-16-6-4-10(5-7-16)11-2-3-12(14)13(15)8-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyKIPNMKHPNQMMLV-UHFFFAOYSA-N
XLogP3.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine?
The IUPAC name of 4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine (CID 141087893) is 4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine is COCN1CCC(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine?
The InChIKey is KIPNMKHPNQMMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-17-9-16-6-4-10(5-7-16)11-2-3-12(14)13(15)8-11/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine?
4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine has a molecular weight of 274.19 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1-(methoxymethyl)piperidine is sourced from PubChem (CID 141087893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).