bis(3-ethylpiperidin-1-yl)methanone

C15H28N2O — CID 86260418

IUPACbis(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)N2CCCC(CC)C2)C1
InChIInChI=1S/C15H28N2O/c1-3-13-7-5-9-16(11-13)15(18)17-10-6-8-14(4-2)12-17/h13-14H,3-12H2,1-2H3
InChIKeyPEQRUDXKHIKUSC-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.35
Rot. Bonds2

About bis(3-ethylpiperidin-1-yl)methanone

bis(3-ethylpiperidin-1-yl)methanone (PubChem CID 86260418) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is bis(3-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namebis(3-ethylpiperidin-1-yl)methanone
PubChem CID86260418
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Namebis(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)N2CCCC(CC)C2)C1
InChIInChI=1S/C15H28N2O/c1-3-13-7-5-9-16(11-13)15(18)17-10-6-8-14(4-2)12-17/h13-14H,3-12H2,1-2H3
InChIKeyPEQRUDXKHIKUSC-UHFFFAOYSA-N
XLogP3.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(3-ethylpiperidin-1-yl)methanone?
The IUPAC name of bis(3-ethylpiperidin-1-yl)methanone (CID 86260418) is bis(3-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for bis(3-ethylpiperidin-1-yl)methanone?
The canonical SMILES for bis(3-ethylpiperidin-1-yl)methanone is CCC1CCCN(C(=O)N2CCCC(CC)C2)C1.
What is the InChIKey of bis(3-ethylpiperidin-1-yl)methanone?
The InChIKey is PEQRUDXKHIKUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-13-7-5-9-16(11-13)15(18)17-10-6-8-14(4-2)12-17/h13-14H,3-12H2,1-2H3.
What are the key properties of bis(3-ethylpiperidin-1-yl)methanone?
bis(3-ethylpiperidin-1-yl)methanone has a molecular weight of 252.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 86260418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).