1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid

C17H25NO2 — CID 65054052

IUPAC1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid
SMILESCCCc1ccc(C(C)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C17H25NO2/c1-3-5-14-7-9-15(10-8-14)13(2)18-11-4-6-16(12-18)17(19)20/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyZTXZYQRXQIRVMU-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.50
Rot. Bonds5

About 1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid

1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid (PubChem CID 65054052) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid
PubChem CID65054052
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid
SMILESCCCc1ccc(C(C)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C17H25NO2/c1-3-5-14-7-9-15(10-8-14)13(2)18-11-4-6-16(12-18)17(19)20/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyZTXZYQRXQIRVMU-UHFFFAOYSA-N
XLogP3.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(4-propylbenzoyl)piperidine-3-carboxylic acid
CID 98019288
1-[1-(4-ethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066703
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
tert-butyl (3S)-1-(1-phenylethyl)piperidine-3-carboxylate;(3S)-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 162050309
2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid
CID 65063084
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229
1-(2-methyl-1-phenylpropyl)piperidine-3-carboxylic acid
CID 65054275
1-[cyano-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 84756626
1-[bis(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 4588765
1-[1-(4-methylphenyl)ethyl]azetidine-3-carboxylic acid
CID 65071734
1-[4-(4-hydroxyphenyl)butan-2-yl]pyrrolidine-3-carboxylic acid
CID 65066557
1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
CID 122000188

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid (CID 65054052) is 1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid is CCCc1ccc(C(C)N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid?
The InChIKey is ZTXZYQRXQIRVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-5-14-7-9-15(10-8-14)13(2)18-11-4-6-16(12-18)17(19)20/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,19,20).
What are the key properties of 1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid?
1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 65054052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).