2-piperidin-1-yl-1-piperidin-4-ylethanone

C12H22N2O — CID 54187909

IUPAC2-piperidin-1-yl-1-piperidin-4-ylethanone
SMILESO=C(CN1CCCCC1)C1CCNCC1
InChIInChI=1S/C12H22N2O/c15-12(11-4-6-13-7-5-11)10-14-8-2-1-3-9-14/h11,13H,1-10H2
InChIKeyPGKHMQUHZTYUPM-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.04
Rot. Bonds3

About 2-piperidin-1-yl-1-piperidin-4-ylethanone

2-piperidin-1-yl-1-piperidin-4-ylethanone (PubChem CID 54187909) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-piperidin-1-yl-1-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-piperidin-1-yl-1-piperidin-4-ylethanone
PubChem CID54187909
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-piperidin-1-yl-1-piperidin-4-ylethanone
SMILESO=C(CN1CCCCC1)C1CCNCC1
InChIInChI=1S/C12H22N2O/c15-12(11-4-6-13-7-5-11)10-14-8-2-1-3-9-14/h11,13H,1-10H2
InChIKeyPGKHMQUHZTYUPM-UHFFFAOYSA-N
XLogP1.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1-piperidin-4-ylethanone?
The IUPAC name of 2-piperidin-1-yl-1-piperidin-4-ylethanone (CID 54187909) is 2-piperidin-1-yl-1-piperidin-4-ylethanone.
What is the SMILES notation for 2-piperidin-1-yl-1-piperidin-4-ylethanone?
The canonical SMILES for 2-piperidin-1-yl-1-piperidin-4-ylethanone is O=C(CN1CCCCC1)C1CCNCC1.
What is the InChIKey of 2-piperidin-1-yl-1-piperidin-4-ylethanone?
The InChIKey is PGKHMQUHZTYUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-12(11-4-6-13-7-5-11)10-14-8-2-1-3-9-14/h11,13H,1-10H2.
What are the key properties of 2-piperidin-1-yl-1-piperidin-4-ylethanone?
2-piperidin-1-yl-1-piperidin-4-ylethanone has a molecular weight of 210.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1-piperidin-4-ylethanone is sourced from PubChem (CID 54187909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).