1-(piperidin-4-ylmethyl)piperidin-4-one

C11H20N2O — CID 115020783

IUPAC1-(piperidin-4-ylmethyl)piperidin-4-one
SMILESO=C1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C11H20N2O/c14-11-3-7-13(8-4-11)9-10-1-5-12-6-2-10/h10,12H,1-9H2
InChIKeyDWWUWDOGYHNEMG-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.65
Rot. Bonds2

About 1-(piperidin-4-ylmethyl)piperidin-4-one

1-(piperidin-4-ylmethyl)piperidin-4-one (PubChem CID 115020783) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)piperidin-4-one.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)piperidin-4-one
PubChem CID115020783
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(piperidin-4-ylmethyl)piperidin-4-one
SMILESO=C1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C11H20N2O/c14-11-3-7-13(8-4-11)9-10-1-5-12-6-2-10/h10,12H,1-9H2
InChIKeyDWWUWDOGYHNEMG-UHFFFAOYSA-N
XLogP0.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1-[[4-(hydroxymethyl)cyclohexyl]methyl]piperidin-4-one
CID 172590869
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119931911
1-[[(1R)-3-oxocyclohexyl]methyl]piperidin-4-one
CID 10750918
1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60854921
2-methyl-8-(piperidin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 120849524
1-(cyclopentylmethyl)pyrrolidin-3-one
CID 43371123
4-(piperidin-4-ylmethyl)piperazine-1-sulfonamide
CID 119929956
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60857529
1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
CID 115031072

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)piperidin-4-one?
The IUPAC name of 1-(piperidin-4-ylmethyl)piperidin-4-one (CID 115020783) is 1-(piperidin-4-ylmethyl)piperidin-4-one.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)piperidin-4-one?
The canonical SMILES for 1-(piperidin-4-ylmethyl)piperidin-4-one is O=C1CCN(CC2CCNCC2)CC1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)piperidin-4-one?
The InChIKey is DWWUWDOGYHNEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c14-11-3-7-13(8-4-11)9-10-1-5-12-6-2-10/h10,12H,1-9H2.
What are the key properties of 1-(piperidin-4-ylmethyl)piperidin-4-one?
1-(piperidin-4-ylmethyl)piperidin-4-one has a molecular weight of 196.29 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)piperidin-4-one is sourced from PubChem (CID 115020783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).