2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one

C14H25NO — CID 63160112

IUPAC2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one
SMILESCCC1(C)CCN(CC2CCCC2=O)CC1
InChIInChI=1S/C14H25NO/c1-3-14(2)7-9-15(10-8-14)11-12-5-4-6-13(12)16/h12H,3-11H2,1-2H3
InChIKeyHTCVZIWOFZHOTA-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds3

About 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one

2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one (PubChem CID 63160112) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one
PubChem CID63160112
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one
SMILESCCC1(C)CCN(CC2CCCC2=O)CC1
InChIInChI=1S/C14H25NO/c1-3-14(2)7-9-15(10-8-14)11-12-5-4-6-13(12)16/h12H,3-11H2,1-2H3
InChIKeyHTCVZIWOFZHOTA-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one (CID 63160112) is 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one is CCC1(C)CCN(CC2CCCC2=O)CC1.
What is the InChIKey of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one?
The InChIKey is HTCVZIWOFZHOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-14(2)7-9-15(10-8-14)11-12-5-4-6-13(12)16/h12H,3-11H2,1-2H3.
What are the key properties of 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one?
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one has a molecular weight of 223.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 63160112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).