1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone

C19H27NO2 — CID 118374703

IUPAC1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCCC[C@H](C)OCC1=C(c2ccccc2)CN(C(C)=O)CC1
InChIInChI=1S/C19H27NO2/c1-4-8-15(2)22-14-18-11-12-20(16(3)21)13-19(18)17-9-6-5-7-10-17/h5-7,9-10,15H,4,8,11-14H2,1-3H3/t15-/m0/s1
InChIKeyBYFQMRJSBQEQPT-HNNXBMFYSA-N
MW301.43 g/mol
LogP3.90
Rot. Bonds6

About 1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 118374703) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID118374703
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCCC[C@H](C)OCC1=C(c2ccccc2)CN(C(C)=O)CC1
InChIInChI=1S/C19H27NO2/c1-4-8-15(2)22-14-18-11-12-20(16(3)21)13-19(18)17-9-6-5-7-10-17/h5-7,9-10,15H,4,8,11-14H2,1-3H3/t15-/m0/s1
InChIKeyBYFQMRJSBQEQPT-HNNXBMFYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone with MolForge

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Related Compounds

ethane;1-[4-[(2-ethenyl-3-hydroxyphenoxy)methyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 145045533
1-(2-pentan-2-yloxyacetyl)piperidin-4-one
CID 102982864
[(2S)-pentan-2-yl] benzoate
CID 101019298
5-[(1-acetyl-4-phenyl-3,6-dihydro-2H-pyridin-5-yl)methoxy]-2-methoxypyridine-4-carbaldehyde
CID 86303718
5-phenyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylic acid
CID 91432306
1-pentan-2-yloxy-3-phenylpropan-2-one
CID 102982877
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
1-(pentan-2-yloxymethyl)naphthalene
CID 174371768
2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol
CID 102983372
(2R)-2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)pentanoic acid
CID 107566072
(2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide
CID 9276310
1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone
CID 43224633

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 118374703) is 1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone is CCC[C@H](C)OCC1=C(c2ccccc2)CN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is BYFQMRJSBQEQPT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-4-8-15(2)22-14-18-11-12-20(16(3)21)13-19(18)17-9-6-5-7-10-17/h5-7,9-10,15H,4,8,11-14H2,1-3H3/t15-/m0/s1.
What are the key properties of 1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 301.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2S)-pentan-2-yl]oxymethyl]-5-phenyl-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 118374703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).