7-(piperidin-1-ylmethyl)cyclohept-2-en-1-one

C13H21NO — CID 134855119

IUPAC7-(piperidin-1-ylmethyl)cyclohept-2-en-1-one
SMILESO=C1C=CCCCC1CN1CCCCC1
InChIInChI=1S/C13H21NO/c15-13-8-4-1-3-7-12(13)11-14-9-5-2-6-10-14/h4,8,12H,1-3,5-7,9-11H2
InChIKeyHZYGBQAAZBADMF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.40
Rot. Bonds2

About 7-(piperidin-1-ylmethyl)cyclohept-2-en-1-one

7-(piperidin-1-ylmethyl)cyclohept-2-en-1-one (PubChem CID 134855119) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 7-(piperidin-1-ylmethyl)cyclohept-2-en-1-one.

Molecular Properties

Compound Name7-(piperidin-1-ylmethyl)cyclohept-2-en-1-one
PubChem CID134855119
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name7-(piperidin-1-ylmethyl)cyclohept-2-en-1-one
SMILESO=C1C=CCCCC1CN1CCCCC1
InChIInChI=1S/C13H21NO/c15-13-8-4-1-3-7-12(13)11-14-9-5-2-6-10-14/h4,8,12H,1-3,5-7,9-11H2
InChIKeyHZYGBQAAZBADMF-UHFFFAOYSA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopentanone, 2-pentylidene-5-[(1-piperidinyl)methyl]-hydrochloride
CID 54608096
6-(Piperidin-1-ylmethyl)cyclohex-2-en-1-one
CID 101419248
3,5,5-Trimethyl-6-(piperidinomethyl)cyclohex-2-en-1-one hydrochloride
CID 129748115
2-(1-Methylpiperidin-4-yl)cyclohepta-2,4,6-trien-1-one
CID 44382755
(2E)-2-pentylidene-5-(piperidin-1-ylmethyl)cyclopentan-1-one
CID 54608097
3-(1-Propyl-piperidin-3-yl)-cyclohex-2-enone
CID 9964524
1-(6-Methyl-6-azabicyclo[3.2.2]non-3-en-4-yl)propan-1-one
CID 12036865
6-[(Dimethylamino)methyl]cyclohex-2-en-1-one
CID 13661719
6-(Diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one
CID 18320134
2-cyclobutyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanone
CID 21757412
3-Methyl-3-azaspiro[5.5]undec-7-en-9-one
CID 58252516
(E)-4-methyl-1-(1-methylpiperidin-3-yl)pent-2-en-1-one
CID 59106061

Frequently Asked Questions

What is the IUPAC name of 7-(piperidin-1-ylmethyl)cyclohept-2-en-1-one?
The IUPAC name of 7-(piperidin-1-ylmethyl)cyclohept-2-en-1-one (CID 134855119) is 7-(piperidin-1-ylmethyl)cyclohept-2-en-1-one.
What is the SMILES notation for 7-(piperidin-1-ylmethyl)cyclohept-2-en-1-one?
The canonical SMILES for 7-(piperidin-1-ylmethyl)cyclohept-2-en-1-one is O=C1C=CCCCC1CN1CCCCC1.
What is the InChIKey of 7-(piperidin-1-ylmethyl)cyclohept-2-en-1-one?
The InChIKey is HZYGBQAAZBADMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c15-13-8-4-1-3-7-12(13)11-14-9-5-2-6-10-14/h4,8,12H,1-3,5-7,9-11H2.
What are the key properties of 7-(piperidin-1-ylmethyl)cyclohept-2-en-1-one?
7-(piperidin-1-ylmethyl)cyclohept-2-en-1-one has a molecular weight of 207.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidin-1-ylmethyl)cyclohept-2-en-1-one is sourced from PubChem (CID 134855119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).