1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine

C14H29NO2 — CID 68587907

IUPAC1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine
SMILESCCCC(C)OC(C)OC(C)N1CCCCC1
InChIInChI=1S/C14H29NO2/c1-5-9-12(2)16-14(4)17-13(3)15-10-7-6-8-11-15/h12-14H,5-11H2,1-4H3
InChIKeyXVMYOINDZXHKSN-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.39
Rot. Bonds7

About 1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine

1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine (PubChem CID 68587907) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine
PubChem CID68587907
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine
SMILESCCCC(C)OC(C)OC(C)N1CCCCC1
InChIInChI=1S/C14H29NO2/c1-5-9-12(2)16-14(4)17-13(3)15-10-7-6-8-11-15/h12-14H,5-11H2,1-4H3
InChIKeyXVMYOINDZXHKSN-UHFFFAOYSA-N
XLogP3.39
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine?
The IUPAC name of 1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine (CID 68587907) is 1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine.
What is the SMILES notation for 1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine?
The canonical SMILES for 1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine is CCCC(C)OC(C)OC(C)N1CCCCC1.
What is the InChIKey of 1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine?
The InChIKey is XVMYOINDZXHKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-9-12(2)16-14(4)17-13(3)15-10-7-6-8-11-15/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine?
1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine has a molecular weight of 243.39 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-pentan-2-yloxyethoxy)ethyl]piperidine is sourced from PubChem (CID 68587907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).