3-(4-fluoro-2-methylphenyl)-4-[(3-methylphenyl)methoxy]piperidine

C20H24FNO — CID 11631029

IUPAC3-(4-fluoro-2-methylphenyl)-4-[(3-methylphenyl)methoxy]piperidine
SMILESCc1cccc(COC2CCNCC2c2ccc(F)cc2C)c1
InChIInChI=1S/C20H24FNO/c1-14-4-3-5-16(10-14)13-23-20-8-9-22-12-19(20)18-7-6-17(21)11-15(18)2/h3-7,10-11,19-20,22H,8-9,12-13H2,1-2H3
InChIKeyBSKVNOCDNTYIMH-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.10
Rot. Bonds4

About 3-(4-fluoro-2-methylphenyl)-4-[(3-methylphenyl)methoxy]piperidine

3-(4-fluoro-2-methylphenyl)-4-[(3-methylphenyl)methoxy]piperidine (PubChem CID 11631029) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-4-[(3-methylphenyl)methoxy]piperidine.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)-4-[(3-methylphenyl)methoxy]piperidine
PubChem CID11631029
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name3-(4-fluoro-2-methylphenyl)-4-[(3-methylphenyl)methoxy]piperidine
SMILESCc1cccc(COC2CCNCC2c2ccc(F)cc2C)c1
InChIInChI=1S/C20H24FNO/c1-14-4-3-5-16(10-14)13-23-20-8-9-22-12-19(20)18-7-6-17(21)11-15(18)2/h3-7,10-11,19-20,22H,8-9,12-13H2,1-2H3
InChIKeyBSKVNOCDNTYIMH-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)-4-[(3-methylphenyl)methoxy]piperidine?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)-4-[(3-methylphenyl)methoxy]piperidine (CID 11631029) is 3-(4-fluoro-2-methylphenyl)-4-[(3-methylphenyl)methoxy]piperidine.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-4-[(3-methylphenyl)methoxy]piperidine?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-4-[(3-methylphenyl)methoxy]piperidine is Cc1cccc(COC2CCNCC2c2ccc(F)cc2C)c1.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-4-[(3-methylphenyl)methoxy]piperidine?
The InChIKey is BSKVNOCDNTYIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c1-14-4-3-5-16(10-14)13-23-20-8-9-22-12-19(20)18-7-6-17(21)11-15(18)2/h3-7,10-11,19-20,22H,8-9,12-13H2,1-2H3.
What are the key properties of 3-(4-fluoro-2-methylphenyl)-4-[(3-methylphenyl)methoxy]piperidine?
3-(4-fluoro-2-methylphenyl)-4-[(3-methylphenyl)methoxy]piperidine has a molecular weight of 313.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)-4-[(3-methylphenyl)methoxy]piperidine is sourced from PubChem (CID 11631029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).