4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine

C16H36N2O — CID 164567625

IUPAC4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine
SMILESCC.CC(C)CN1CCC(OC2CCC2)CC1.CN
InChIInChI=1S/C13H25NO.C2H6.CH5N/c1-11(2)10-14-8-6-13(7-9-14)15-12-4-3-5-12;2*1-2/h11-13H,3-10H2,1-2H3;1-2H3;2H2,1H3
InChIKeyYCCALWKHIZYNNT-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.28
Rot. Bonds4

About 4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine

4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine (PubChem CID 164567625) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine.

Molecular Properties

Compound Name4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine
PubChem CID164567625
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine
SMILESCC.CC(C)CN1CCC(OC2CCC2)CC1.CN
InChIInChI=1S/C13H25NO.C2H6.CH5N/c1-11(2)10-14-8-6-13(7-9-14)15-12-4-3-5-12;2*1-2/h11-13H,3-10H2,1-2H3;1-2H3;2H2,1H3
InChIKeyYCCALWKHIZYNNT-UHFFFAOYSA-N
XLogP3.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine?
The IUPAC name of 4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine (CID 164567625) is 4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine.
What is the SMILES notation for 4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine?
The canonical SMILES for 4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine is CC.CC(C)CN1CCC(OC2CCC2)CC1.CN.
What is the InChIKey of 4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine?
The InChIKey is YCCALWKHIZYNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C2H6.CH5N/c1-11(2)10-14-8-6-13(7-9-14)15-12-4-3-5-12;2*1-2/h11-13H,3-10H2,1-2H3;1-2H3;2H2,1H3.
What are the key properties of 4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine?
4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine has a molecular weight of 272.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-1-(2-methylpropyl)piperidine;ethane;methanamine is sourced from PubChem (CID 164567625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).