1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)piperidine

C14H19ClFNO — CID 52992935

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C14H19ClFNO/c1-18-10-11-4-3-7-17(8-11)9-12-13(15)5-2-6-14(12)16/h2,5-6,11H,3-4,7-10H2,1H3
InChIKeyDMGLDVLPOKVMQL-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.34
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)piperidine

1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)piperidine (PubChem CID 52992935) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)piperidine
PubChem CID52992935
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C14H19ClFNO/c1-18-10-11-4-3-7-17(8-11)9-12-13(15)5-2-6-14(12)16/h2,5-6,11H,3-4,7-10H2,1H3
InChIKeyDMGLDVLPOKVMQL-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)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

1-(2-Chloro-6-fluoro-benzyl)-4-methyl-piperazine
CID 677773
4-(2-Chlorobenzyl)-2,6-dimethylmorpholine
CID 2843397
Ethyl 1-(2-chloro-6-fluorobenzyl)-4-piperidinecarboxylate
CID 723339
Ethyl 1-(2-chlorobenzyl)piperidine-3-carboxylate
CID 2838273
Ethyl 1-(2-chloro-6-fluorobenzyl)-3-piperidinecarboxylate
CID 2845955
4-(2-Chloro-6-fluorobenzyl)morpholine
CID 677371
4-(2-Chlorobenzyl)morpholine
CID 782978
2-[4-(2-Chloro-6-fluorobenzyl)-1-isobutyl-2-piperazinyl]ethanol
CID 16190088
2-[4-(2-Chloro-4-fluorobenzyl)-1-isobutyl-2-piperazinyl]ethanol
CID 16190246
2-[4-(2-Chloro-6-fluorobenzyl)-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16192468
Cambridge id 5425968
CID 782960
[8-(3-Chloro-4-fluorobenzyl)-2-methyl-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91922082

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)piperidine?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)piperidine (CID 52992935) is 1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)piperidine.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)piperidine?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)piperidine is COCC1CCCN(Cc2c(F)cccc2Cl)C1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)piperidine?
The InChIKey is DMGLDVLPOKVMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-18-10-11-4-3-7-17(8-11)9-12-13(15)5-2-6-14(12)16/h2,5-6,11H,3-4,7-10H2,1H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)piperidine?
1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)piperidine has a molecular weight of 271.76 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-3-(methoxymethyl)piperidine is sourced from PubChem (CID 52992935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).