4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one

C18H27NO2 — CID 116572330

IUPAC4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one
SMILESCc1cc(C)c(CC(=O)CCOC2CCNCC2)c(C)c1
InChIInChI=1S/C18H27NO2/c1-13-10-14(2)18(15(3)11-13)12-16(20)6-9-21-17-4-7-19-8-5-17/h10-11,17,19H,4-9,12H2,1-3H3
InChIKeyTXVMJCURYUZIJQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.88
Rot. Bonds6

About 4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one

4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one (PubChem CID 116572330) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one.

Molecular Properties

Compound Name4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one
PubChem CID116572330
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one
SMILESCc1cc(C)c(CC(=O)CCOC2CCNCC2)c(C)c1
InChIInChI=1S/C18H27NO2/c1-13-10-14(2)18(15(3)11-13)12-16(20)6-9-21-17-4-7-19-8-5-17/h10-11,17,19H,4-9,12H2,1-3H3
InChIKeyTXVMJCURYUZIJQ-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
CID 103052354
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-piperidin-4-yloxybutan-2-one
CID 116572254
1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one
CID 116572161
1-(2-bromo-5-fluorophenyl)-4-piperidin-4-yloxybutan-2-one
CID 116572237
2-piperidin-4-yloxy-N-(2,4,6-trimethylphenyl)acetamide
CID 39062816
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-piperidin-4-yloxybutan-2-one
CID 116572314
1-(3-bromothiophen-2-yl)-4-piperidin-4-yloxybutan-2-one
CID 116572333
N-(3-methylphenyl)-3-piperidin-4-yloxypropanamide
CID 63875437
1-piperidin-4-yloxyhex-5-en-3-one
CID 116572160
N-(5-ethyl-1H-pyrazol-3-yl)-3-piperidin-4-yloxypropanamide
CID 104617993
1-(2,4,6-trimethylphenyl)undecan-2-one
CID 114966039
1-piperidin-4-yloxyhept-6-yn-3-one
CID 116572339

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one?
The IUPAC name of 4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one (CID 116572330) is 4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one.
What is the SMILES notation for 4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one?
The canonical SMILES for 4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one is Cc1cc(C)c(CC(=O)CCOC2CCNCC2)c(C)c1.
What is the InChIKey of 4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one?
The InChIKey is TXVMJCURYUZIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-10-14(2)18(15(3)11-13)12-16(20)6-9-21-17-4-7-19-8-5-17/h10-11,17,19H,4-9,12H2,1-3H3.
What are the key properties of 4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one?
4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one has a molecular weight of 289.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one is sourced from PubChem (CID 116572330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).