4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine

C17H25NO — CID 155201522

IUPAC4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine
SMILESCc1ccc(C2CCN(CC3CCOC3)CC2)cc1
InChIInChI=1S/C17H25NO/c1-14-2-4-16(5-3-14)17-6-9-18(10-7-17)12-15-8-11-19-13-15/h2-5,15,17H,6-13H2,1H3
InChIKeyVYMRVPDYQAKRIG-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.21
Rot. Bonds3

About 4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine

4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine (PubChem CID 155201522) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine
PubChem CID155201522
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine
SMILESCc1ccc(C2CCN(CC3CCOC3)CC2)cc1
InChIInChI=1S/C17H25NO/c1-14-2-4-16(5-3-14)17-6-9-18(10-7-17)12-15-8-11-19-13-15/h2-5,15,17H,6-13H2,1H3
InChIKeyVYMRVPDYQAKRIG-UHFFFAOYSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine
CID 171070213
5-methyl-2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]oxypyridine
CID 75484483
4-(4-methylphenyl)oxane
CID 46222621
2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
CID 95631988
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine
CID 95862588
4,6-dimethyl-1-(oxolan-3-ylmethyl)-1,5-diazocane
CID 62824730
6-tert-butyl-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910582
4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-[[(3S)-oxolan-3-yl]methyl]piperidine
CID 95202871
N-[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 129436285
5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254637
1-tert-butyl-4-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 171429424

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine?
The IUPAC name of 4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine (CID 155201522) is 4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine.
What is the SMILES notation for 4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine?
The canonical SMILES for 4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine is Cc1ccc(C2CCN(CC3CCOC3)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine?
The InChIKey is VYMRVPDYQAKRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14-2-4-16(5-3-14)17-6-9-18(10-7-17)12-15-8-11-19-13-15/h2-5,15,17H,6-13H2,1H3.
What are the key properties of 4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine?
4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine has a molecular weight of 259.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine is sourced from PubChem (CID 155201522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).