[4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate

C17H25NO3 — CID 174977791

IUPAC[4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCc1ccc(OC2CCN(OC(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C17H25NO3/c1-13-5-7-14(8-6-13)20-15-9-11-18(12-10-15)21-16(19)17(2,3)4/h5-8,15H,9-12H2,1-4H3
InChIKeyZJNZVOUECIYLAK-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.34
Rot. Bonds3

About [4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174977791) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174977791
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCc1ccc(OC2CCN(OC(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C17H25NO3/c1-13-5-7-14(8-6-13)20-15-9-11-18(12-10-15)21-16(19)17(2,3)4/h5-8,15H,9-12H2,1-4H3
InChIKeyZJNZVOUECIYLAK-UHFFFAOYSA-N
XLogP3.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate 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

2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
[4-(2,4-dichlorophenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174800010
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 144986405
[4-[(E)-3-(3,5-dimethylphenyl)prop-2-enoyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174492815
N,N-dimethyl-2-[4-(4-methylphenoxy)piperidin-1-yl]acetamide
CID 167150972
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 138033034
2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110397098
(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 119292106
4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119292107
3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol
CID 111423473

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174977791) is [4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate is Cc1ccc(OC2CCN(OC(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of [4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is ZJNZVOUECIYLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-5-7-14(8-6-13)20-15-9-11-18(12-10-15)21-16(19)17(2,3)4/h5-8,15H,9-12H2,1-4H3.
What are the key properties of [4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 291.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174977791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).