1-[(2,5-difluorophenyl)methyl]-3-(methoxymethyl)piperidine

C14H19F2NO — CID 56764599

IUPAC1-[(2,5-difluorophenyl)methyl]-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(Cc2cc(F)ccc2F)C1
InChIInChI=1S/C14H19F2NO/c1-18-10-11-3-2-6-17(8-11)9-12-7-13(15)4-5-14(12)16/h4-5,7,11H,2-3,6,8-10H2,1H3
InChIKeyAUJSNZSIRDKCCE-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.82
Rot. Bonds4

About 1-[(2,5-difluorophenyl)methyl]-3-(methoxymethyl)piperidine

1-[(2,5-difluorophenyl)methyl]-3-(methoxymethyl)piperidine (PubChem CID 56764599) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-3-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-3-(methoxymethyl)piperidine
PubChem CID56764599
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-[(2,5-difluorophenyl)methyl]-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(Cc2cc(F)ccc2F)C1
InChIInChI=1S/C14H19F2NO/c1-18-10-11-3-2-6-17(8-11)9-12-7-13(15)4-5-14(12)16/h4-5,7,11H,2-3,6,8-10H2,1H3
InChIKeyAUJSNZSIRDKCCE-UHFFFAOYSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-(methoxymethyl)piperidine?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-(methoxymethyl)piperidine (CID 56764599) is 1-[(2,5-difluorophenyl)methyl]-3-(methoxymethyl)piperidine.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-3-(methoxymethyl)piperidine?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-3-(methoxymethyl)piperidine is COCC1CCCN(Cc2cc(F)ccc2F)C1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-3-(methoxymethyl)piperidine?
The InChIKey is AUJSNZSIRDKCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-18-10-11-3-2-6-17(8-11)9-12-7-13(15)4-5-14(12)16/h4-5,7,11H,2-3,6,8-10H2,1H3.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-3-(methoxymethyl)piperidine?
1-[(2,5-difluorophenyl)methyl]-3-(methoxymethyl)piperidine has a molecular weight of 255.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-3-(methoxymethyl)piperidine is sourced from PubChem (CID 56764599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).