cycloheptyl-(1-methylpiperidin-4-yl)methanone

C14H25NO — CID 144802313

IUPACcycloheptyl-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)C2CCCCCC2)CC1
InChIInChI=1S/C14H25NO/c1-15-10-8-13(9-11-15)14(16)12-6-4-2-3-5-7-12/h12-13H,2-11H2,1H3
InChIKeyCHZKVJNTPVHRON-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds2

About cycloheptyl-(1-methylpiperidin-4-yl)methanone

cycloheptyl-(1-methylpiperidin-4-yl)methanone (PubChem CID 144802313) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is cycloheptyl-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Namecycloheptyl-(1-methylpiperidin-4-yl)methanone
PubChem CID144802313
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Namecycloheptyl-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)C2CCCCCC2)CC1
InChIInChI=1S/C14H25NO/c1-15-10-8-13(9-11-15)14(16)12-6-4-2-3-5-7-12/h12-13H,2-11H2,1H3
InChIKeyCHZKVJNTPVHRON-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 cycloheptyl-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of cycloheptyl-(1-methylpiperidin-4-yl)methanone (CID 144802313) is cycloheptyl-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for cycloheptyl-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for cycloheptyl-(1-methylpiperidin-4-yl)methanone is CN1CCC(C(=O)C2CCCCCC2)CC1.
What is the InChIKey of cycloheptyl-(1-methylpiperidin-4-yl)methanone?
The InChIKey is CHZKVJNTPVHRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-15-10-8-13(9-11-15)14(16)12-6-4-2-3-5-7-12/h12-13H,2-11H2,1H3.
What are the key properties of cycloheptyl-(1-methylpiperidin-4-yl)methanone?
cycloheptyl-(1-methylpiperidin-4-yl)methanone has a molecular weight of 223.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 144802313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).