4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine

C20H21F2N5O — CID 91317066

IUPAC4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine
SMILESCn1nnc(-c2ccc(-c3cc(F)c(OCC4CCNCC4)c(F)c3)cc2)n1
InChIInChI=1S/C20H21F2N5O/c1-27-25-20(24-26-27)15-4-2-14(3-5-15)16-10-17(21)19(18(22)11-16)28-12-13-6-8-23-9-7-13/h2-5,10-11,13,23H,6-9,12H2,1H3
InChIKeyJLIIFIYOJOKSDQ-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.20
Rot. Bonds5

About 4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine

4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine (PubChem CID 91317066) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine.

Molecular Properties

Compound Name4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine
PubChem CID91317066
Molecular FormulaC20H21F2N5O
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC Name4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine
SMILESCn1nnc(-c2ccc(-c3cc(F)c(OCC4CCNCC4)c(F)c3)cc2)n1
InChIInChI=1S/C20H21F2N5O/c1-27-25-20(24-26-27)15-4-2-14(3-5-15)16-10-17(21)19(18(22)11-16)28-12-13-6-8-23-9-7-13/h2-5,10-11,13,23H,6-9,12H2,1H3
InChIKeyJLIIFIYOJOKSDQ-UHFFFAOYSA-N
XLogP3.20
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine?
The IUPAC name of 4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine (CID 91317066) is 4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine.
What is the SMILES notation for 4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine?
The canonical SMILES for 4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine is Cn1nnc(-c2ccc(-c3cc(F)c(OCC4CCNCC4)c(F)c3)cc2)n1.
What is the InChIKey of 4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine?
The InChIKey is JLIIFIYOJOKSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O/c1-27-25-20(24-26-27)15-4-2-14(3-5-15)16-10-17(21)19(18(22)11-16)28-12-13-6-8-23-9-7-13/h2-5,10-11,13,23H,6-9,12H2,1H3.
What are the key properties of 4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine?
4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine has a molecular weight of 385.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidine is sourced from PubChem (CID 91317066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).