2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate

C15H29NO3 — CID 106448068

IUPAC2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate
SMILESCCCC1(C(=O)OCCOCC(C)C)CCCNC1
InChIInChI=1S/C15H29NO3/c1-4-6-15(7-5-8-16-12-15)14(17)19-10-9-18-11-13(2)3/h13,16H,4-12H2,1-3H3
InChIKeyBSYZCWXVFVLYQR-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.37
Rot. Bonds8

About 2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate

2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate (PubChem CID 106448068) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate
PubChem CID106448068
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate
SMILESCCCC1(C(=O)OCCOCC(C)C)CCCNC1
InChIInChI=1S/C15H29NO3/c1-4-6-15(7-5-8-16-12-15)14(17)19-10-9-18-11-13(2)3/h13,16H,4-12H2,1-3H3
InChIKeyBSYZCWXVFVLYQR-UHFFFAOYSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate?
The IUPAC name of 2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate (CID 106448068) is 2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate is CCCC1(C(=O)OCCOCC(C)C)CCCNC1.
What is the InChIKey of 2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate?
The InChIKey is BSYZCWXVFVLYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-6-15(7-5-8-16-12-15)14(17)19-10-9-18-11-13(2)3/h13,16H,4-12H2,1-3H3.
What are the key properties of 2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate?
2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate has a molecular weight of 271.40 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate is sourced from PubChem (CID 106448068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).