1-(4-chloro-2,6-difluorophenyl)-4-(methoxymethyl)piperidine

C13H16ClF2NO — CID 137382931

IUPAC1-(4-chloro-2,6-difluorophenyl)-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(c2c(F)cc(Cl)cc2F)CC1
InChIInChI=1S/C13H16ClF2NO/c1-18-8-9-2-4-17(5-3-9)13-11(15)6-10(14)7-12(13)16/h6-7,9H,2-5,8H2,1H3
InChIKeyAKPXQQUPAVNFNN-UHFFFAOYSA-N
MW275.73 g/mol
LogP3.48
Rot. Bonds3

About 1-(4-chloro-2,6-difluorophenyl)-4-(methoxymethyl)piperidine

1-(4-chloro-2,6-difluorophenyl)-4-(methoxymethyl)piperidine (PubChem CID 137382931) has the molecular formula C13H16ClF2NO and a molecular weight of 275.73 g/mol. Its IUPAC name is 1-(4-chloro-2,6-difluorophenyl)-4-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-(4-chloro-2,6-difluorophenyl)-4-(methoxymethyl)piperidine
PubChem CID137382931
Molecular FormulaC13H16ClF2NO
Molecular Weight275.73 g/mol
Exact Mass275.09
IUPAC Name1-(4-chloro-2,6-difluorophenyl)-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(c2c(F)cc(Cl)cc2F)CC1
InChIInChI=1S/C13H16ClF2NO/c1-18-8-9-2-4-17(5-3-9)13-11(15)6-10(14)7-12(13)16/h6-7,9H,2-5,8H2,1H3
InChIKeyAKPXQQUPAVNFNN-UHFFFAOYSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-difluorophenyl)-4-(methoxymethyl)piperidine?
The IUPAC name of 1-(4-chloro-2,6-difluorophenyl)-4-(methoxymethyl)piperidine (CID 137382931) is 1-(4-chloro-2,6-difluorophenyl)-4-(methoxymethyl)piperidine.
What is the SMILES notation for 1-(4-chloro-2,6-difluorophenyl)-4-(methoxymethyl)piperidine?
The canonical SMILES for 1-(4-chloro-2,6-difluorophenyl)-4-(methoxymethyl)piperidine is COCC1CCN(c2c(F)cc(Cl)cc2F)CC1.
What is the InChIKey of 1-(4-chloro-2,6-difluorophenyl)-4-(methoxymethyl)piperidine?
The InChIKey is AKPXQQUPAVNFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO/c1-18-8-9-2-4-17(5-3-9)13-11(15)6-10(14)7-12(13)16/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 1-(4-chloro-2,6-difluorophenyl)-4-(methoxymethyl)piperidine?
1-(4-chloro-2,6-difluorophenyl)-4-(methoxymethyl)piperidine has a molecular weight of 275.73 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-difluorophenyl)-4-(methoxymethyl)piperidine is sourced from PubChem (CID 137382931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).