1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid

C15H20N2O3 — CID 137250056

IUPAC1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CC/N=C/c2ccccc2O)C1
InChIInChI=1S/C15H20N2O3/c18-14-6-2-1-4-12(14)10-16-7-9-17-8-3-5-13(11-17)15(19)20/h1-2,4,6,10,13,18H,3,5,7-9,11H2,(H,19,20)/b16-10+
InChIKeyGRLOMIXRPLIUAY-MHWRWJLKSA-N
MW276.34 g/mol
LogP1.61
Rot. Bonds5

About 1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid

1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid (PubChem CID 137250056) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid
PubChem CID137250056
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CC/N=C/c2ccccc2O)C1
InChIInChI=1S/C15H20N2O3/c18-14-6-2-1-4-12(14)10-16-7-9-17-8-3-5-13(11-17)15(19)20/h1-2,4,6,10,13,18H,3,5,7-9,11H2,(H,19,20)/b16-10+
InChIKeyGRLOMIXRPLIUAY-MHWRWJLKSA-N
XLogP1.61
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[2-[(Z)-(2-methylphenyl)methylideneamino]oxyethyl]piperidine-3-carboxylic acid;hydrochloride
CID 131719890
(3R)-1-[2-(2,2-diphenylethenoxy)ethyl]piperidine-3-carboxylic acid
CID 10620277
1-[(E)-4-cyclohexyl-4-phenylbut-3-enyl]piperidine-3-carboxylic acid;hydrochloride
CID 70482277
1-[(2-chloro-6-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 114322169
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
(3R)-1-[3-(10,12-dihydrobenzo[b][1,5]benzoxazocin-11-yl)propyl]piperidine-3-carboxylic acid
CID 22880169
1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 178133859
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
1-[2-[[(2-chlorophenyl)-phenylmethylidene]amino]oxyethyl]piperidine-3-carboxylic acid
CID 54307891
(3R)-1-[3-(3,3-diphenylprop-2-enoxy)propyl]piperidine-3-carboxylic acid
CID 54444555
1-[2-[(E)-phenanthren-9-ylmethylideneamino]oxyethyl]piperidine-3-carboxylic acid
CID 155524811
1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride
CID 70230026

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid (CID 137250056) is 1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(CC/N=C/c2ccccc2O)C1.
What is the InChIKey of 1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid?
The InChIKey is GRLOMIXRPLIUAY-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14-6-2-1-4-12(14)10-16-7-9-17-8-3-5-13(11-17)15(19)20/h1-2,4,6,10,13,18H,3,5,7-9,11H2,(H,19,20)/b16-10+.
What are the key properties of 1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid?
1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 137250056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).