4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid

C14H19NO4 — CID 82091719

IUPAC4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid
SMILESCOc1ccc(OC)c(C2(C(=O)O)CCNCC2)c1
InChIInChI=1S/C14H19NO4/c1-18-10-3-4-12(19-2)11(9-10)14(13(16)17)5-7-15-8-6-14/h3-4,9,15H,5-8H2,1-2H3,(H,16,17)
InChIKeySZZRNSCTRFHGKR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.41
Rot. Bonds4

About 4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid

4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid (PubChem CID 82091719) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid
PubChem CID82091719
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid
SMILESCOc1ccc(OC)c(C2(C(=O)O)CCNCC2)c1
InChIInChI=1S/C14H19NO4/c1-18-10-3-4-12(19-2)11(9-10)14(13(16)17)5-7-15-8-6-14/h3-4,9,15H,5-8H2,1-2H3,(H,16,17)
InChIKeySZZRNSCTRFHGKR-UHFFFAOYSA-N
XLogP1.41
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571
1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 82296346
1-(2,5-dimethoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 80699237
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117357088
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
4-(2,5-dimethoxyphenyl)-3-ethylpiperidin-4-ol
CID 114510480
3-(2,5-dimethoxyphenyl)-3,5,5-trimethylpiperidine
CID 82303319
(4-phenylpiperidin-4-yl) 2,5-dimethoxybenzoate
CID 163889911
1-(2-formyl-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117313804
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclopentane-1-carboxylic acid
CID 117428766
2-(2-methoxy-5-methylphenyl)spiro[3.4]octane-2-carboxylic acid
CID 65003014
1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039519

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid (CID 82091719) is 4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid is COc1ccc(OC)c(C2(C(=O)O)CCNCC2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid?
The InChIKey is SZZRNSCTRFHGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-10-3-4-12(19-2)11(9-10)14(13(16)17)5-7-15-8-6-14/h3-4,9,15H,5-8H2,1-2H3,(H,16,17).
What are the key properties of 4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid?
4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 82091719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).