1-[2-(1-phenyloct-1-enylamino)oxyethyl]piperidine-3-carboxylic acid

C22H34N2O3 — CID 57226280

IUPAC1-[2-(1-phenyloct-1-enylamino)oxyethyl]piperidine-3-carboxylic acid
SMILESCCCCCCC=C(NOCCN1CCCC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C22H34N2O3/c1-2-3-4-5-9-14-21(19-11-7-6-8-12-19)23-27-17-16-24-15-10-13-20(18-24)22(25)26/h6-8,11-12,14,20,23H,2-5,9-10,13,15-18H2,1H3,(H,25,26)
InChIKeyCBQXEDIPPIJGDJ-UHFFFAOYSA-N
MW374.52 g/mol
LogP4.32
Rot. Bonds12

About 1-[2-(1-phenyloct-1-enylamino)oxyethyl]piperidine-3-carboxylic acid

1-[2-(1-phenyloct-1-enylamino)oxyethyl]piperidine-3-carboxylic acid (PubChem CID 57226280) has the molecular formula C22H34N2O3 and a molecular weight of 374.52 g/mol. Its IUPAC name is 1-[2-(1-phenyloct-1-enylamino)oxyethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-phenyloct-1-enylamino)oxyethyl]piperidine-3-carboxylic acid
PubChem CID57226280
Molecular FormulaC22H34N2O3
Molecular Weight374.52 g/mol
Exact Mass374.26
IUPAC Name1-[2-(1-phenyloct-1-enylamino)oxyethyl]piperidine-3-carboxylic acid
SMILESCCCCCCC=C(NOCCN1CCCC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C22H34N2O3/c1-2-3-4-5-9-14-21(19-11-7-6-8-12-19)23-27-17-16-24-15-10-13-20(18-24)22(25)26/h6-8,11-12,14,20,23H,2-5,9-10,13,15-18H2,1H3,(H,25,26)
InChIKeyCBQXEDIPPIJGDJ-UHFFFAOYSA-N
XLogP4.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(3-methyl-1-phenylbut-1-enyl)amino]oxyethyl]piperidine-3-carboxylic acid
CID 57050550
(3R)-1-[2-[(Z)-1-phenyloctylideneamino]oxyethyl]piperidine-3-carboxylic acid
CID 86750440
(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid
CID 10620277
(3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid
CID 54444555
ethyl 1-(5,5-diphenylpent-4-enyl)piperidine-3-carboxylate
CID 54436757
1-[(2-hexoxyphenyl)methyl]piperidine-3-carbohydrazide
CID 54848066
1-[(E)-4-cyclohexyl-4-phenylbut-3-enyl]piperidine-3-carboxylic acid;hydrochloride
CID 70482277
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
1-(2-propoxyethyl)piperidine-3-carboxylic acid
CID 106454575
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
1-[2-(17-carboxyheptadec-1-enylamino)oxyethyl]piperidine-3-carboxylic acid
CID 57316339
(3R)-1-[(Z)-4-(2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 53321703

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-phenyloct-1-enylamino)oxyethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(1-phenyloct-1-enylamino)oxyethyl]piperidine-3-carboxylic acid (CID 57226280) is 1-[2-(1-phenyloct-1-enylamino)oxyethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(1-phenyloct-1-enylamino)oxyethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(1-phenyloct-1-enylamino)oxyethyl]piperidine-3-carboxylic acid is CCCCCCC=C(NOCCN1CCCC(C(=O)O)C1)c1ccccc1.
What is the InChIKey of 1-[2-(1-phenyloct-1-enylamino)oxyethyl]piperidine-3-carboxylic acid?
The InChIKey is CBQXEDIPPIJGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-2-3-4-5-9-14-21(19-11-7-6-8-12-19)23-27-17-16-24-15-10-13-20(18-24)22(25)26/h6-8,11-12,14,20,23H,2-5,9-10,13,15-18H2,1H3,(H,25,26).
What are the key properties of 1-[2-(1-phenyloct-1-enylamino)oxyethyl]piperidine-3-carboxylic acid?
1-[2-(1-phenyloct-1-enylamino)oxyethyl]piperidine-3-carboxylic acid has a molecular weight of 374.52 g/mol, XLogP of 4.32, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-phenyloct-1-enylamino)oxyethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 57226280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).