2-(4-fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine

C17H24FNO — CID 143163515

IUPAC2-(4-fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine
SMILESCc1cc(F)ccc1C1CCCCN1C1CCOCC1
InChIInChI=1S/C17H24FNO/c1-13-12-14(18)5-6-16(13)17-4-2-3-9-19(17)15-7-10-20-11-8-15/h5-6,12,15,17H,2-4,7-11H2,1H3
InChIKeyJJMVWAUGZDVYQD-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.84
Rot. Bonds2

About 2-(4-fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine

2-(4-fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine (PubChem CID 143163515) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine
PubChem CID143163515
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine
SMILESCc1cc(F)ccc1C1CCCCN1C1CCOCC1
InChIInChI=1S/C17H24FNO/c1-13-12-14(18)5-6-16(13)17-4-2-3-9-19(17)15-7-10-20-11-8-15/h5-6,12,15,17H,2-4,7-11H2,1H3
InChIKeyJJMVWAUGZDVYQD-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-1-benzyl-2-((R)-2-methoxy-1-phenylethyl)piperidine
CID 16719672
2-[3-(3-Phenylpropoxy)propyl]-1,2,3,4-tetrahydro-isoquinoline
CID 44563682
9-[(4-Tert-butylphenyl)methyl]-4-oxa-9-azaspiro[5.5]undecane
CID 145990203
US11214540, Example 21
CID 142475107
US11214540, Example 15
CID 142475296
US11214540, Example 59
CID 142475335
US11214540, Example 36
CID 142475381
2-(2-Ethoxy-ethyl)-1-phenyl-1,2,3,4-tetrahydro-isoquinoline
CID 14548156
3-[(4-Tert-butylphenyl)methyl]-9-oxa-3-azaspiro[5.5]undecane
CID 145989321
4-((2-Methylphenyl)methyl)morpholine
CID 782962
US11214540, Example 64
CID 142475128
1-(2-fluorobenzyl)-N-(tetrahydro-2H-pyran-4-yl)-3-piperidinamine
CID 45240052

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine (CID 143163515) is 2-(4-fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine is Cc1cc(F)ccc1C1CCCCN1C1CCOCC1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine?
The InChIKey is JJMVWAUGZDVYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-13-12-14(18)5-6-16(13)17-4-2-3-9-19(17)15-7-10-20-11-8-15/h5-6,12,15,17H,2-4,7-11H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine?
2-(4-fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine has a molecular weight of 277.38 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-(oxan-4-yl)piperidine is sourced from PubChem (CID 143163515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).