3-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine

C14H19ClFNO2 — CID 117464467

IUPAC3-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
SMILESCOc1c(Cl)cc(CC2CCCNC2)c(OC)c1F
InChIInChI=1S/C14H19ClFNO2/c1-18-13-10(6-9-4-3-5-17-8-9)7-11(15)14(19-2)12(13)16/h7,9,17H,3-6,8H2,1-2H3
InChIKeySBOLTGDXHRTXBV-UHFFFAOYSA-N
MW287.76 g/mol
LogP3.04
Rot. Bonds4

About 3-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine

3-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine (PubChem CID 117464467) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 3-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
PubChem CID117464467
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name3-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
SMILESCOc1c(Cl)cc(CC2CCCNC2)c(OC)c1F
InChIInChI=1S/C14H19ClFNO2/c1-18-13-10(6-9-4-3-5-17-8-9)7-11(15)14(19-2)12(13)16/h7,9,17H,3-6,8H2,1-2H3
InChIKeySBOLTGDXHRTXBV-UHFFFAOYSA-N
XLogP3.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine?
The IUPAC name of 3-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine (CID 117464467) is 3-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine?
The canonical SMILES for 3-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine is COc1c(Cl)cc(CC2CCCNC2)c(OC)c1F.
What is the InChIKey of 3-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine?
The InChIKey is SBOLTGDXHRTXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-18-13-10(6-9-4-3-5-17-8-9)7-11(15)14(19-2)12(13)16/h7,9,17H,3-6,8H2,1-2H3.
What are the key properties of 3-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine?
3-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine has a molecular weight of 287.76 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117464467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).