2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one

C16H29NO — CID 83156297

IUPAC2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one
SMILESCC(C)CCCN1CCCCC1C1CCCC1=O
InChIInChI=1S/C16H29NO/c1-13(2)7-6-12-17-11-4-3-9-15(17)14-8-5-10-16(14)18/h13-15H,3-12H2,1-2H3
InChIKeyNJIUPYIROOZZIE-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.65
Rot. Bonds5

About 2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one

2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one (PubChem CID 83156297) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one
PubChem CID83156297
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one
SMILESCC(C)CCCN1CCCCC1C1CCCC1=O
InChIInChI=1S/C16H29NO/c1-13(2)7-6-12-17-11-4-3-9-15(17)14-8-5-10-16(14)18/h13-15H,3-12H2,1-2H3
InChIKeyNJIUPYIROOZZIE-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one (CID 83156297) is 2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one is CC(C)CCCN1CCCCC1C1CCCC1=O.
What is the InChIKey of 2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one?
The InChIKey is NJIUPYIROOZZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-13(2)7-6-12-17-11-4-3-9-15(17)14-8-5-10-16(14)18/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one?
2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one has a molecular weight of 251.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 83156297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).