4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid

C16H21NO3 — CID 67778513

IUPAC4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(/C=C/COCc2ccccc2)CC1
InChIInChI=1S/C16H21NO3/c18-16(19)17-10-8-14(9-11-17)7-4-12-20-13-15-5-2-1-3-6-15/h1-7,14H,8-13H2,(H,18,19)/b7-4+
InChIKeyYCKVIJSGKBLXEM-QPJJXVBHSA-N
MW275.35 g/mol
LogP3.15
Rot. Bonds5

About 4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid

4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid (PubChem CID 67778513) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid
PubChem CID67778513
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(/C=C/COCc2ccccc2)CC1
InChIInChI=1S/C16H21NO3/c18-16(19)17-10-8-14(9-11-17)7-4-12-20-13-15-5-2-1-3-6-15/h1-7,14H,8-13H2,(H,18,19)/b7-4+
InChIKeyYCKVIJSGKBLXEM-QPJJXVBHSA-N
XLogP3.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Carbobenzoxy-4-piperidinecarboxylic Acid
CID 736489
Benzyl 4-oxopiperidine-1-carboxylate
CID 643496
Benzyl 4-Hydroxy-1-piperidinecarboxylate
CID 2794620
1-((Benzyloxy)carbonyl)piperidine-3-carboxylic acid
CID 234339
1-(Phenylmethoxy)-4-piperidylbut-2-yne, chloride
CID 16192747
Benzyl 3-pyrroline-1-carboxylate
CID 643471
1-Benzyloxycarbonyl-3-piperidone
CID 1514169
Benzyl 4-bromotetrahydro-1(2H)-pyridinecarboxylate
CID 2776275
Benzyl 5,6-dihydropyridine-1(2H)-carboxylate
CID 11458613
Benzyl 3,4-dihydropyridine-1(2H)-carboxylate
CID 15637681
Benzyl 4-cyanopiperidine-1-carboxylate
CID 22028286
4-[(4-Fluorophenyl)methoxymethyl]-1-pentylpiperidine;hydrochloride
CID 45262188

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid (CID 67778513) is 4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(/C=C/COCc2ccccc2)CC1.
What is the InChIKey of 4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid?
The InChIKey is YCKVIJSGKBLXEM-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(19)17-10-8-14(9-11-17)7-4-12-20-13-15-5-2-1-3-6-15/h1-7,14H,8-13H2,(H,18,19)/b7-4+.
What are the key properties of 4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid?
4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-phenylmethoxyprop-1-enyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67778513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).