[4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate

C17H25NO3 — CID 174809929

IUPAC[4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate
SMILESCOc1ccc(C2(OC(=O)C(C)(C)C)CCNCC2)cc1
InChIInChI=1S/C17H25NO3/c1-16(2,3)15(19)21-17(9-11-18-12-10-17)13-5-7-14(20-4)8-6-13/h5-8,18H,9-12H2,1-4H3
InChIKeyPZGNVGOEJRDYRK-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.86
Rot. Bonds3

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

[4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate (PubChem CID 174809929) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate
PubChem CID174809929
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate
SMILESCOc1ccc(C2(OC(=O)C(C)(C)C)CCNCC2)cc1
InChIInChI=1S/C17H25NO3/c1-16(2,3)15(19)21-17(9-11-18-12-10-17)13-5-7-14(20-4)8-6-13/h5-8,18H,9-12H2,1-4H3
InChIKeyPZGNVGOEJRDYRK-UHFFFAOYSA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-methoxyphenyl)azepan-3-yl] 2,2-dimethylpropanoate
CID 174818718
[4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate
CID 174695662
[3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate
CID 174662539
(4-phenylpiperidin-4-yl) 2-bromo-2-methylpropanoate
CID 167316143
[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate
CID 174558419
(4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate
CID 163889911
(4-phenylpiperidin-4-yl) 4-(2-iodo-2-methylpropanoyl)oxybenzoate
CID 162508509
[4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate
CID 162509335
propyl 4-(4-methoxyphenyl)piperidine-4-carboxylate
CID 20544109
4-O-tert-butyl 1-O-(4-phenylpiperidin-4-yl) butanedioate
CID 167316030
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
4-(6-methoxynaphthalen-2-yl)piperidin-4-ol;hydrochloride
CID 142647916

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate (CID 174809929) is [4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate is COc1ccc(C2(OC(=O)C(C)(C)C)CCNCC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate?
The InChIKey is PZGNVGOEJRDYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-16(2,3)15(19)21-17(9-11-18-12-10-17)13-5-7-14(20-4)8-6-13/h5-8,18H,9-12H2,1-4H3.
What are the key properties of [4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate?
[4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate has a molecular weight of 291.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174809929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).