1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid

C17H25NO4 — CID 119908222

IUPAC1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
SMILESCCCOc1ccc(OCCN2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H25NO4/c1-2-12-21-15-3-5-16(6-4-15)22-13-11-18-9-7-14(8-10-18)17(19)20/h3-6,14H,2,7-13H2,1H3,(H,19,20)
InChIKeyVHDVMEGQAKUGTC-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.65
Rot. Bonds8

About 1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid

1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid (PubChem CID 119908222) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
PubChem CID119908222
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
SMILESCCCOc1ccc(OCCN2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C17H25NO4/c1-2-12-21-15-3-5-16(6-4-15)22-13-11-18-9-7-14(8-10-18)17(19)20/h3-6,14H,2,7-13H2,1H3,(H,19,20)
InChIKeyVHDVMEGQAKUGTC-UHFFFAOYSA-N
XLogP2.65
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
1-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906798
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 119166313
1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone
CID 63844952
1-[2-(4-methoxyphenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046333
1-[2-[3-methyl-4-(2-methylbutanoyl)phenoxy]ethyl]piperidine-4-carboxylic acid
CID 156886401
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
1-[2-(4-fluorophenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046330
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908123

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid (CID 119908222) is 1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid is CCCOc1ccc(OCCN2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid?
The InChIKey is VHDVMEGQAKUGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-2-12-21-15-3-5-16(6-4-15)22-13-11-18-9-7-14(8-10-18)17(19)20/h3-6,14H,2,7-13H2,1H3,(H,19,20).
What are the key properties of 1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid?
1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119908222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).