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

C17H25NO — CID 158551228

IUPAC2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one
SMILESCC(C)(C)C(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C17H25NO/c1-17(2,3)16(19)15-9-7-14(8-10-15)13-18-11-5-4-6-12-18/h7-10H,4-6,11-13H2,1-3H3
InChIKeyXQYNNHYJSDSPIH-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.90
Rot. Bonds3

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

2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one (PubChem CID 158551228) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one
PubChem CID158551228
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one
SMILESCC(C)(C)C(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C17H25NO/c1-17(2,3)16(19)15-9-7-14(8-10-15)13-18-11-5-4-6-12-18/h7-10H,4-6,11-13H2,1-3H3
InChIKeyXQYNNHYJSDSPIH-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 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 ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(carboxymethyl)-7-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]-1,4,7-triazonan-1-yl]acetic acid
CID 176864130
1-[4-[[4-(1-tert-butylpiperidine-4-carbonyl)piperazin-1-yl]methyl]phenyl]-2,2-dimethylpropan-1-one
CID 170668393
methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 166236360
2,2-dimethyl-1-[4-[2-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)propyl]phenyl]propan-1-one
CID 130474517
2-[4-(piperidin-1-ylmethyl)phenyl]propan-2-ol
CID 82166020
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
4-[(4-tert-butylpiperazin-1-yl)methyl]benzoic acid
CID 61432695
(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724302

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one (CID 158551228) is 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one is CC(C)(C)C(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one?
The InChIKey is XQYNNHYJSDSPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2,3)16(19)15-9-7-14(8-10-15)13-18-11-5-4-6-12-18/h7-10H,4-6,11-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one?
2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one is sourced from PubChem (CID 158551228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).