1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone

C15H29N2O+ — CID 163129070

IUPAC1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone
SMILESCN(C)C1CC[NH+](CC(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-16(2)14-8-10-17(11-9-14)12-15(18)13-6-4-3-5-7-13/h13-14H,3-12H2,1-2H3/p+1
InChIKeyMCTMSGSROQVJQE-UHFFFAOYSA-O
MW253.41 g/mol
LogP0.74
Rot. Bonds4

About 1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone

1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone (PubChem CID 163129070) has the molecular formula C15H29N2O+ and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone
PubChem CID163129070
Molecular FormulaC15H29N2O+
Molecular Weight253.41 g/mol
Exact Mass253.23
IUPAC Name1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone
SMILESCN(C)C1CC[NH+](CC(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-16(2)14-8-10-17(11-9-14)12-15(18)13-6-4-3-5-7-13/h13-14H,3-12H2,1-2H3/p+1
InChIKeyMCTMSGSROQVJQE-UHFFFAOYSA-O
XLogP0.74
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone?
The IUPAC name of 1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone (CID 163129070) is 1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone is CN(C)C1CC[NH+](CC(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone?
The InChIKey is MCTMSGSROQVJQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H28N2O/c1-16(2)14-8-10-17(11-9-14)12-15(18)13-6-4-3-5-7-13/h13-14H,3-12H2,1-2H3/p+1.
What are the key properties of 1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone?
1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone has a molecular weight of 253.41 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[4-(dimethylamino)piperidin-1-ium-1-yl]ethanone is sourced from PubChem (CID 163129070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).