1-(5-phenoxypentyl)piperidine-2-carboxylic acid

C17H25NO3 — CID 122040490

IUPAC1-(5-phenoxypentyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CCCCCOc1ccccc1
InChIInChI=1S/C17H25NO3/c19-17(20)16-11-5-7-13-18(16)12-6-2-8-14-21-15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2,(H,19,20)
InChIKeyLXVDOEKXARMSLV-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.17
Rot. Bonds8

About 1-(5-phenoxypentyl)piperidine-2-carboxylic acid

1-(5-phenoxypentyl)piperidine-2-carboxylic acid (PubChem CID 122040490) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(5-phenoxypentyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-phenoxypentyl)piperidine-2-carboxylic acid
PubChem CID122040490
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-(5-phenoxypentyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CCCCCOc1ccccc1
InChIInChI=1S/C17H25NO3/c19-17(20)16-11-5-7-13-18(16)12-6-2-8-14-21-15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2,(H,19,20)
InChIKeyLXVDOEKXARMSLV-UHFFFAOYSA-N
XLogP3.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-chlorophenoxy)propyl]azepane-2-carboxylic acid
CID 64563566
1-[3-(3-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
CID 82224106
1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid
CID 122562043
1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid
CID 82224108
1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
CID 82224104
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
1-[2-(3-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 43441222
1-[2-(3-bromophenoxy)ethyl]azepane-2-carboxylic acid
CID 64561789
[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
CID 14517943
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049136
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenoxypentyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(5-phenoxypentyl)piperidine-2-carboxylic acid (CID 122040490) is 1-(5-phenoxypentyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-phenoxypentyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-phenoxypentyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1CCCCCOc1ccccc1.
What is the InChIKey of 1-(5-phenoxypentyl)piperidine-2-carboxylic acid?
The InChIKey is LXVDOEKXARMSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-17(20)16-11-5-7-13-18(16)12-6-2-8-14-21-15-9-3-1-4-10-15/h1,3-4,9-10,16H,2,5-8,11-14H2,(H,19,20).
What are the key properties of 1-(5-phenoxypentyl)piperidine-2-carboxylic acid?
1-(5-phenoxypentyl)piperidine-2-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenoxypentyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 122040490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).