[4-(methylamino)cyclohexyl]-piperidin-1-ylmethanone

C13H24N2O — CID 83708927

IUPAC[4-(methylamino)cyclohexyl]-piperidin-1-ylmethanone
SMILESCNC1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H24N2O/c1-14-12-7-5-11(6-8-12)13(16)15-9-3-2-4-10-15/h11-12,14H,2-10H2,1H3
InChIKeyXGFYXHQNLPMQFU-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds2

About [4-(methylamino)cyclohexyl]-piperidin-1-ylmethanone

[4-(methylamino)cyclohexyl]-piperidin-1-ylmethanone (PubChem CID 83708927) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is [4-(methylamino)cyclohexyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(methylamino)cyclohexyl]-piperidin-1-ylmethanone
PubChem CID83708927
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name[4-(methylamino)cyclohexyl]-piperidin-1-ylmethanone
SMILESCNC1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C13H24N2O/c1-14-12-7-5-11(6-8-12)13(16)15-9-3-2-4-10-15/h11-12,14H,2-10H2,1H3
InChIKeyXGFYXHQNLPMQFU-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)cyclohexyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(methylamino)cyclohexyl]-piperidin-1-ylmethanone (CID 83708927) is [4-(methylamino)cyclohexyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(methylamino)cyclohexyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(methylamino)cyclohexyl]-piperidin-1-ylmethanone is CNC1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [4-(methylamino)cyclohexyl]-piperidin-1-ylmethanone?
The InChIKey is XGFYXHQNLPMQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-14-12-7-5-11(6-8-12)13(16)15-9-3-2-4-10-15/h11-12,14H,2-10H2,1H3.
What are the key properties of [4-(methylamino)cyclohexyl]-piperidin-1-ylmethanone?
[4-(methylamino)cyclohexyl]-piperidin-1-ylmethanone has a molecular weight of 224.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)cyclohexyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 83708927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).