3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one

C18H27NO2 — CID 46028750

IUPAC3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one
SMILESCc1ccc(COC2CCCN(C(=O)CC(C)C)C2)cc1
InChIInChI=1S/C18H27NO2/c1-14(2)11-18(20)19-10-4-5-17(12-19)21-13-16-8-6-15(3)7-9-16/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeyZHDKOLKCQGUODF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.55
Rot. Bonds5

About 3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one

3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one (PubChem CID 46028750) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one
PubChem CID46028750
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one
SMILESCc1ccc(COC2CCCN(C(=O)CC(C)C)C2)cc1
InChIInChI=1S/C18H27NO2/c1-14(2)11-18(20)19-10-4-5-17(12-19)21-13-16-8-6-15(3)7-9-16/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeyZHDKOLKCQGUODF-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93223987
(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223338
3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
CID 84755346
3,3-dimethyl-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]butan-1-one
CID 42844101
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148
[3-[(4-bromophenyl)methoxy]piperidin-1-yl]-(2-methylphenyl)methanone
CID 46028831
1-[3-[4-(2,3-dihydropyrrol-1-yl)phenoxy]piperidin-1-yl]-3-methylbutan-1-one
CID 141337074
3-methyl-1-(3-phenylpiperidin-1-yl)butan-1-one
CID 141126685
cyclopentyl-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46153645
6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one
CID 74232921
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223396
3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide
CID 46029174

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one (CID 46028750) is 3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one is Cc1ccc(COC2CCCN(C(=O)CC(C)C)C2)cc1.
What is the InChIKey of 3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one?
The InChIKey is ZHDKOLKCQGUODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(2)11-18(20)19-10-4-5-17(12-19)21-13-16-8-6-15(3)7-9-16/h6-9,14,17H,4-5,10-13H2,1-3H3.
What are the key properties of 3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one?
3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 46028750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).