4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate

C16H27NO4 — CID 91734422

IUPAC4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate
SMILESC=CCOC(=O)N1CCC(C(=O)OCCCCCC)CC1
InChIInChI=1S/C16H27NO4/c1-3-5-6-7-13-20-15(18)14-8-10-17(11-9-14)16(19)21-12-4-2/h4,14H,2-3,5-13H2,1H3
InChIKeyAUZMEBLNVMNDIK-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.14
Rot. Bonds8

About 4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate

4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate (PubChem CID 91734422) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate
PubChem CID91734422
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate
SMILESC=CCOC(=O)N1CCC(C(=O)OCCCCCC)CC1
InChIInChI=1S/C16H27NO4/c1-3-5-6-7-13-20-15(18)14-8-10-17(11-9-14)16(19)21-12-4-2/h4,14H,2-3,5-13H2,1H3
InChIKeyAUZMEBLNVMNDIK-UHFFFAOYSA-N
XLogP3.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate 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-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742586
nonyl 1-prop-2-enoylpiperidine-4-carboxylate
CID 91738806
1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742588
hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 78877614
hexyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
CID 78877062
dodecyl 1-methylpiperidine-4-carboxylate
CID 138584013
2-O-octyl 1-O-prop-2-enyl pyrrolidine-1,2-dicarboxylate
CID 6424266
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
butyl 1-acetylpiperidine-4-carboxylate
CID 112724765
butyl 1-octanoylpiperidine-4-carboxylate
CID 91728400
hexadecyl cyclopropanecarboxylate;silver
CID 87290012

Frequently Asked Questions

What is the IUPAC name of 4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate?
The IUPAC name of 4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate (CID 91734422) is 4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate.
What is the SMILES notation for 4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate?
The canonical SMILES for 4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate is C=CCOC(=O)N1CCC(C(=O)OCCCCCC)CC1.
What is the InChIKey of 4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate?
The InChIKey is AUZMEBLNVMNDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-3-5-6-7-13-20-15(18)14-8-10-17(11-9-14)16(19)21-12-4-2/h4,14H,2-3,5-13H2,1H3.
What are the key properties of 4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate?
4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate has a molecular weight of 297.39 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate is sourced from PubChem (CID 91734422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).