6-(piperidin-1-ylmethyl)cyclohex-2-en-1-one

C12H19NO — CID 101419248

IUPAC6-(piperidin-1-ylmethyl)cyclohex-2-en-1-one
SMILESO=C1C=CCCC1CN1CCCCC1
InChIInChI=1S/C12H19NO/c14-12-7-3-2-6-11(12)10-13-8-4-1-5-9-13/h3,7,11H,1-2,4-6,8-10H2
InChIKeyMYLPTCXWJHJTBU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.01
Rot. Bonds2

About 6-(piperidin-1-ylmethyl)cyclohex-2-en-1-one

6-(piperidin-1-ylmethyl)cyclohex-2-en-1-one (PubChem CID 101419248) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 6-(piperidin-1-ylmethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(piperidin-1-ylmethyl)cyclohex-2-en-1-one
PubChem CID101419248
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name6-(piperidin-1-ylmethyl)cyclohex-2-en-1-one
SMILESO=C1C=CCCC1CN1CCCCC1
InChIInChI=1S/C12H19NO/c14-12-7-3-2-6-11(12)10-13-8-4-1-5-9-13/h3,7,11H,1-2,4-6,8-10H2
InChIKeyMYLPTCXWJHJTBU-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-1-ylmethyl)cyclohex-2-en-1-one?
The IUPAC name of 6-(piperidin-1-ylmethyl)cyclohex-2-en-1-one (CID 101419248) is 6-(piperidin-1-ylmethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 6-(piperidin-1-ylmethyl)cyclohex-2-en-1-one?
The canonical SMILES for 6-(piperidin-1-ylmethyl)cyclohex-2-en-1-one is O=C1C=CCCC1CN1CCCCC1.
What is the InChIKey of 6-(piperidin-1-ylmethyl)cyclohex-2-en-1-one?
The InChIKey is MYLPTCXWJHJTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-12-7-3-2-6-11(12)10-13-8-4-1-5-9-13/h3,7,11H,1-2,4-6,8-10H2.
What are the key properties of 6-(piperidin-1-ylmethyl)cyclohex-2-en-1-one?
6-(piperidin-1-ylmethyl)cyclohex-2-en-1-one has a molecular weight of 193.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-1-ylmethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 101419248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).