methyl (3S)-1-decylpiperidine-3-carboxylate

C17H33NO2 — CID 115537543

IUPACmethyl (3S)-1-decylpiperidine-3-carboxylate
SMILESCCCCCCCCCCN1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C17H33NO2/c1-3-4-5-6-7-8-9-10-13-18-14-11-12-16(15-18)17(19)20-2/h16H,3-15H2,1-2H3/t16-/m0/s1
InChIKeyMWKANNPRMRACEE-INIZCTEOSA-N
MW283.46 g/mol
LogP4.01
Rot. Bonds10

About methyl (3S)-1-decylpiperidine-3-carboxylate

methyl (3S)-1-decylpiperidine-3-carboxylate (PubChem CID 115537543) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is methyl (3S)-1-decylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-decylpiperidine-3-carboxylate
PubChem CID115537543
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Namemethyl (3S)-1-decylpiperidine-3-carboxylate
SMILESCCCCCCCCCCN1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C17H33NO2/c1-3-4-5-6-7-8-9-10-13-18-14-11-12-16(15-18)17(19)20-2/h16H,3-15H2,1-2H3/t16-/m0/s1
InChIKeyMWKANNPRMRACEE-INIZCTEOSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-decylpiperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-decylpiperidine-3-carboxylate (CID 115537543) is methyl (3S)-1-decylpiperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-decylpiperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-decylpiperidine-3-carboxylate is CCCCCCCCCCN1CCC[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (3S)-1-decylpiperidine-3-carboxylate?
The InChIKey is MWKANNPRMRACEE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-4-5-6-7-8-9-10-13-18-14-11-12-16(15-18)17(19)20-2/h16H,3-15H2,1-2H3/t16-/m0/s1.
What are the key properties of methyl (3S)-1-decylpiperidine-3-carboxylate?
methyl (3S)-1-decylpiperidine-3-carboxylate has a molecular weight of 283.46 g/mol, XLogP of 4.01, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-decylpiperidine-3-carboxylate is sourced from PubChem (CID 115537543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).