piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone

C14H25N2O+ — CID 4053222

IUPACpiperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone
SMILESCC1(C)C=C(C(=O)N2CCCCC2)C(C)(C)[NH2+]1
InChIInChI=1S/C14H24N2O/c1-13(2)10-11(14(3,4)15-13)12(17)16-8-6-5-7-9-16/h10,15H,5-9H2,1-4H3/p+1
InChIKeyWWDXJSJOPZNCAJ-UHFFFAOYSA-O
MW237.37 g/mol
LogP1.06
Rot. Bonds1

About piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone

piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone (PubChem CID 4053222) has the molecular formula C14H25N2O+ and a molecular weight of 237.37 g/mol. Its IUPAC name is piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone
PubChem CID4053222
Molecular FormulaC14H25N2O+
Molecular Weight237.37 g/mol
Exact Mass237.20
IUPAC Namepiperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone
SMILESCC1(C)C=C(C(=O)N2CCCCC2)C(C)(C)[NH2+]1
InChIInChI=1S/C14H24N2O/c1-13(2)10-11(14(3,4)15-13)12(17)16-8-6-5-7-9-16/h10,15H,5-9H2,1-4H3/p+1
InChIKeyWWDXJSJOPZNCAJ-UHFFFAOYSA-O
XLogP1.06
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone?
The IUPAC name of piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone (CID 4053222) is piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone?
The canonical SMILES for piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone is CC1(C)C=C(C(=O)N2CCCCC2)C(C)(C)[NH2+]1.
What is the InChIKey of piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone?
The InChIKey is WWDXJSJOPZNCAJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H24N2O/c1-13(2)10-11(14(3,4)15-13)12(17)16-8-6-5-7-9-16/h10,15H,5-9H2,1-4H3/p+1.
What are the key properties of piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone?
piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone has a molecular weight of 237.37 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone is sourced from PubChem (CID 4053222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).