1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-2-carboxylic acid

C16H22N2O5 — CID 142844626

IUPAC1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-2-carboxylic acid
SMILESCOc1cc(/C=N/N2CCCCC2C(=O)O)cc(OC)c1OC
InChIInChI=1S/C16H22N2O5/c1-21-13-8-11(9-14(22-2)15(13)23-3)10-17-18-7-5-4-6-12(18)16(19)20/h8-10,12H,4-7H2,1-3H3,(H,19,20)/b17-10+
InChIKeyDLQZMVBDEMUQDF-LICLKQGHSA-N
MW322.36 g/mol
LogP1.99
Rot. Bonds6

About 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-2-carboxylic acid

1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-2-carboxylic acid (PubChem CID 142844626) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-2-carboxylic acid
PubChem CID142844626
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-2-carboxylic acid
SMILESCOc1cc(/C=N/N2CCCCC2C(=O)O)cc(OC)c1OC
InChIInChI=1S/C16H22N2O5/c1-21-13-8-11(9-14(22-2)15(13)23-3)10-17-18-7-5-4-6-12(18)16(19)20/h8-10,12H,4-7H2,1-3H3,(H,19,20)/b17-10+
InChIKeyDLQZMVBDEMUQDF-LICLKQGHSA-N
XLogP1.99
TPSA80.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2,6-dimethoxyphenol
CID 135548581
N-piperidin-1-yl-1-(3,4,5-trimethoxyphenyl)methanimine
CID 292883
(E)-nesocodin (alcohol-form)
CID 163358947
(3R,5R)-5-[2-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid
CID 155519191
2,6-dimethoxy-4-[(E)-piperidin-1-yliminomethyl]phenol
CID 135576625
1-(3,4,5-Trimethoxybenzylideneamino)-piperidine
CID 9554591
1-(2-((3,4,5-Trimethoxybenzylidene)amino)ethyl)piperidine-3-carboxylic acid
CID 132276866
(Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine
CID 9012581
(Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine
CID 9012582
(Z)-1-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine
CID 9012583
ethyl (3E)-2,2-difluoro-3-morpholin-4-ylimino-3-(3,4,5-trimethoxyphenyl)propanoate
CID 177575035
2,6-Dimethoxy-4-(piperidin-1-yliminomethyl)phenol
CID 2371747

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-2-carboxylic acid (CID 142844626) is 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-2-carboxylic acid is COc1cc(/C=N/N2CCCCC2C(=O)O)cc(OC)c1OC.
What is the InChIKey of 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-2-carboxylic acid?
The InChIKey is DLQZMVBDEMUQDF-LICLKQGHSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-21-13-8-11(9-14(22-2)15(13)23-3)10-17-18-7-5-4-6-12(18)16(19)20/h8-10,12H,4-7H2,1-3H3,(H,19,20)/b17-10+.
What are the key properties of 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-2-carboxylic acid?
1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-2-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-2-carboxylic acid is sourced from PubChem (CID 142844626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).