1-[2-(2-decoxyethoxy)ethyl]piperidine

C19H39NO2 — CID 175686195

IUPAC1-[2-(2-decoxyethoxy)ethyl]piperidine
SMILESCCCCCCCCCCOCCOCCN1CCCCC1
InChIInChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-12-16-21-18-19-22-17-15-20-13-10-9-11-14-20/h2-19H2,1H3
InChIKeyKRDIGDPCXCAYBM-UHFFFAOYSA-N
MW313.53 g/mol
LogP4.65
Rot. Bonds15

About 1-[2-(2-decoxyethoxy)ethyl]piperidine

1-[2-(2-decoxyethoxy)ethyl]piperidine (PubChem CID 175686195) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 1-[2-(2-decoxyethoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2-decoxyethoxy)ethyl]piperidine
PubChem CID175686195
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Name1-[2-(2-decoxyethoxy)ethyl]piperidine
SMILESCCCCCCCCCCOCCOCCN1CCCCC1
InChIInChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-12-16-21-18-19-22-17-15-20-13-10-9-11-14-20/h2-19H2,1H3
InChIKeyKRDIGDPCXCAYBM-UHFFFAOYSA-N
XLogP4.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 54.65
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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Related Compounds

1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
1-dodecylazepane
CID 3366129
1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine
CID 118339849
4-(2-hexoxyethyl)morpholine
CID 3326674
1-tetradecylpiperidine;hydrochloride
CID 71325293
CID 162323144
CID 162323144
ethane;1-nonylpiperidine
CID 177011009
1-butylpiperidine;hexane;1-hexylpiperidine
CID 156727490
ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine
CID 142390245
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
5-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 62458957

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-decoxyethoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(2-decoxyethoxy)ethyl]piperidine (CID 175686195) is 1-[2-(2-decoxyethoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(2-decoxyethoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(2-decoxyethoxy)ethyl]piperidine is CCCCCCCCCCOCCOCCN1CCCCC1.
What is the InChIKey of 1-[2-(2-decoxyethoxy)ethyl]piperidine?
The InChIKey is KRDIGDPCXCAYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-12-16-21-18-19-22-17-15-20-13-10-9-11-14-20/h2-19H2,1H3.
What are the key properties of 1-[2-(2-decoxyethoxy)ethyl]piperidine?
1-[2-(2-decoxyethoxy)ethyl]piperidine has a molecular weight of 313.53 g/mol, XLogP of 4.65, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-decoxyethoxy)ethyl]piperidine is sourced from PubChem (CID 175686195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).