1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4,4-difluoropiperidine

C14H18ClF2NO2 — CID 77082730

IUPAC1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4,4-difluoropiperidine
SMILESCOc1cc(OC)c(CN2CCC(F)(F)CC2)cc1Cl
InChIInChI=1S/C14H18ClF2NO2/c1-19-12-8-13(20-2)11(15)7-10(12)9-18-5-3-14(16,17)4-6-18/h7-8H,3-6,9H2,1-2H3
InChIKeyUIECIBYJVOQVJW-UHFFFAOYSA-N
MW305.75 g/mol
LogP3.59
Rot. Bonds4

About 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4,4-difluoropiperidine

1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4,4-difluoropiperidine (PubChem CID 77082730) has the molecular formula C14H18ClF2NO2 and a molecular weight of 305.75 g/mol. Its IUPAC name is 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4,4-difluoropiperidine
PubChem CID77082730
Molecular FormulaC14H18ClF2NO2
Molecular Weight305.75 g/mol
Exact Mass305.10
IUPAC Name1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4,4-difluoropiperidine
SMILESCOc1cc(OC)c(CN2CCC(F)(F)CC2)cc1Cl
InChIInChI=1S/C14H18ClF2NO2/c1-19-12-8-13(20-2)11(15)7-10(12)9-18-5-3-14(16,17)4-6-18/h7-8H,3-6,9H2,1-2H3
InChIKeyUIECIBYJVOQVJW-UHFFFAOYSA-N
XLogP3.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4,4-difluoropiperidine?
The IUPAC name of 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4,4-difluoropiperidine (CID 77082730) is 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4,4-difluoropiperidine is COc1cc(OC)c(CN2CCC(F)(F)CC2)cc1Cl.
What is the InChIKey of 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4,4-difluoropiperidine?
The InChIKey is UIECIBYJVOQVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NO2/c1-19-12-8-13(20-2)11(15)7-10(12)9-18-5-3-14(16,17)4-6-18/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4,4-difluoropiperidine?
1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4,4-difluoropiperidine has a molecular weight of 305.75 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2,4-dimethoxyphenyl)methyl]-4,4-difluoropiperidine is sourced from PubChem (CID 77082730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).