2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one

C19H29NO2 — CID 166906888

IUPAC2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one
SMILESCc1cc(OCCN2CCCCC2)ccc1C(=O)C(C)(C)C
InChIInChI=1S/C19H29NO2/c1-15-14-16(8-9-17(15)18(21)19(2,3)4)22-13-12-20-10-6-5-7-11-20/h8-9,14H,5-7,10-13H2,1-4H3
InChIKeyQCZFIVWTGGRMMN-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.09
Rot. Bonds5

About 2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one

2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one (PubChem CID 166906888) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one
PubChem CID166906888
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one
SMILESCc1cc(OCCN2CCCCC2)ccc1C(=O)C(C)(C)C
InChIInChI=1S/C19H29NO2/c1-15-14-16(8-9-17(15)18(21)19(2,3)4)22-13-12-20-10-6-5-7-11-20/h8-9,14H,5-7,10-13H2,1-4H3
InChIKeyQCZFIVWTGGRMMN-UHFFFAOYSA-N
XLogP4.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 566846
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one
CID 30266
3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 83134389
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
3-[2-(azocan-1-yl)ethoxy]benzoic acid
CID 43532593
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
2-methyl-4-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 81281553

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one (CID 166906888) is 2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one is Cc1cc(OCCN2CCCCC2)ccc1C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one?
The InChIKey is QCZFIVWTGGRMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15-14-16(8-9-17(15)18(21)19(2,3)4)22-13-12-20-10-6-5-7-11-20/h8-9,14H,5-7,10-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one?
2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one has a molecular weight of 303.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one is sourced from PubChem (CID 166906888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).