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

C14H19ClFNO2 — CID 117464468

IUPAC3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCCNC2)c(F)c(Cl)c1OC
InChIInChI=1S/C14H19ClFNO2/c1-18-11-7-10(6-9-4-3-5-17-8-9)13(16)12(15)14(11)19-2/h7,9,17H,3-6,8H2,1-2H3
InChIKeyAYPUIZLDDMEGID-UHFFFAOYSA-N
MW287.76 g/mol
LogP3.04
Rot. Bonds4

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

3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine (PubChem CID 117464468) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
PubChem CID117464468
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCCNC2)c(F)c(Cl)c1OC
InChIInChI=1S/C14H19ClFNO2/c1-18-11-7-10(6-9-4-3-5-17-8-9)13(16)12(15)14(11)19-2/h7,9,17H,3-6,8H2,1-2H3
InChIKeyAYPUIZLDDMEGID-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-chloro-3,4,6-trimethoxyphenyl)methyl]piperidine
CID 117482743
3-[(5-chloro-4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398036
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
3-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398044
6-chloro-2-fluoro-3-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117437157
4-chloro-3-fluoro-2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117437163
3-[(4-chloro-7-methoxy-1-benzofuran-5-yl)methyl]piperidine
CID 117448942
5-chloro-2-methoxy-4-(piperidin-3-ylmethyl)phenol
CID 117392596
3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[(2-chloro-5-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 84802168
3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117451785

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine?
The IUPAC name of 3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine (CID 117464468) is 3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine?
The canonical SMILES for 3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine is COc1cc(CC2CCCNC2)c(F)c(Cl)c1OC.
What is the InChIKey of 3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine?
The InChIKey is AYPUIZLDDMEGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-18-11-7-10(6-9-4-3-5-17-8-9)13(16)12(15)14(11)19-2/h7,9,17H,3-6,8H2,1-2H3.
What are the key properties of 3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine?
3-[(3-chloro-2-fluoro-4,5-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-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117464468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).