2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate

C15H29NO5 — CID 169283749

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OCCOCCOCCO)CC1
InChIInChI=1S/C15H29NO5/c1-13(2)14-3-5-16(6-4-14)15(18)21-12-11-20-10-9-19-8-7-17/h13-14,17H,3-12H2,1-2H3
InChIKeyYDEHTVKGFWIEQI-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.52
Rot. Bonds9

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate (PubChem CID 169283749) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate
PubChem CID169283749
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate
SMILESCC(C)C1CCN(C(=O)OCCOCCOCCO)CC1
InChIInChI=1S/C15H29NO5/c1-13(2)14-3-5-16(6-4-14)15(18)21-12-11-20-10-9-19-8-7-17/h13-14,17H,3-12H2,1-2H3
InChIKeyYDEHTVKGFWIEQI-UHFFFAOYSA-N
XLogP1.52
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-hydroxyethyl 4-(diethylamino)piperidine-1-carboxylate
CID 79346546
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
2-hydroxyethyl 4-propan-2-ylpiperazine-1-carboxylate
CID 79345346
2-methoxyethyl 4-ethylpiperidine-1-carboxylate
CID 70658235
2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 79345168
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate
CID 79349412
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate (CID 169283749) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate is CC(C)C1CCN(C(=O)OCCOCCOCCO)CC1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is YDEHTVKGFWIEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-13(2)14-3-5-16(6-4-14)15(18)21-12-11-20-10-9-19-8-7-17/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 169283749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).