2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine

C16H31NO — CID 118486114

IUPAC2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine
SMILESCCCC1CCC(CCC2CCC(C)OC2)NC1
InChIInChI=1S/C16H31NO/c1-3-4-14-7-9-16(17-11-14)10-8-15-6-5-13(2)18-12-15/h13-17H,3-12H2,1-2H3
InChIKeyHAZXLXSWXFYLKT-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds5

About 2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine

2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine (PubChem CID 118486114) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine.

Molecular Properties

Compound Name2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine
PubChem CID118486114
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine
SMILESCCCC1CCC(CCC2CCC(C)OC2)NC1
InChIInChI=1S/C16H31NO/c1-3-4-14-7-9-16(17-11-14)10-8-15-6-5-13(2)18-12-15/h13-17H,3-12H2,1-2H3
InChIKeyHAZXLXSWXFYLKT-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine?
The IUPAC name of 2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine (CID 118486114) is 2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine.
What is the SMILES notation for 2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine?
The canonical SMILES for 2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine is CCCC1CCC(CCC2CCC(C)OC2)NC1.
What is the InChIKey of 2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine?
The InChIKey is HAZXLXSWXFYLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-3-4-14-7-9-16(17-11-14)10-8-15-6-5-13(2)18-12-15/h13-17H,3-12H2,1-2H3.
What are the key properties of 2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine?
2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methyloxan-3-yl)ethyl]-5-propylpiperidine is sourced from PubChem (CID 118486114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).