ethanamine;4-piperidin-1-ylpyridin-1-ium

C12H22N3+ — CID 142565329

IUPACethanamine;4-piperidin-1-ylpyridin-1-ium
SMILESCCN.c1cc(N2CCCCC2)cc[nH+]1
InChIInChI=1S/C10H14N2.C2H7N/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;1-2-3/h4-7H,1-3,8-9H2;2-3H2,1H3/p+1
InChIKeyZNNUAOOICGHDKP-UHFFFAOYSA-O
MW208.33 g/mol
LogP1.46
Rot. Bonds1

About ethanamine;4-piperidin-1-ylpyridin-1-ium

ethanamine;4-piperidin-1-ylpyridin-1-ium (PubChem CID 142565329) has the molecular formula C12H22N3+ and a molecular weight of 208.33 g/mol. Its IUPAC name is ethanamine;4-piperidin-1-ylpyridin-1-ium.

Molecular Properties

Compound Nameethanamine;4-piperidin-1-ylpyridin-1-ium
PubChem CID142565329
Molecular FormulaC12H22N3+
Molecular Weight208.33 g/mol
Exact Mass208.18
IUPAC Nameethanamine;4-piperidin-1-ylpyridin-1-ium
SMILESCCN.c1cc(N2CCCCC2)cc[nH+]1
InChIInChI=1S/C10H14N2.C2H7N/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;1-2-3/h4-7H,1-3,8-9H2;2-3H2,1H3/p+1
InChIKeyZNNUAOOICGHDKP-UHFFFAOYSA-O
XLogP1.46
TPSA43.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-piperidin-1-ylpyridin-1-ium
CID 5251844
4-pyrrolidin-1-ylpyridin-1-ium bromide
CID 172867849
4-pyrrolidin-1-ylpyridin-1-ium iodide
CID 71117930
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
2-[4-(azepan-1-yl)phenyl]-2-methylpropan-1-amine
CID 28807053
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
2-N-methyl-2-N-(4-piperidin-1-ylphenyl)propane-1,2-diamine
CID 82021053
1-pyridin-1-ium-4-ylpiperazin-4-ium dichloride
CID 172704458
ethoxyethane;1-phenylpiperidine
CID 174883082
1-(4-pentan-3-ylphenyl)piperidine
CID 170127380
4-(azepan-1-yl)aniline;dihydrochloride
CID 16640674
4-(azepan-1-yl)aniline;hydrochloride
CID 6603137

Frequently Asked Questions

What is the IUPAC name of ethanamine;4-piperidin-1-ylpyridin-1-ium?
The IUPAC name of ethanamine;4-piperidin-1-ylpyridin-1-ium (CID 142565329) is ethanamine;4-piperidin-1-ylpyridin-1-ium.
What is the SMILES notation for ethanamine;4-piperidin-1-ylpyridin-1-ium?
The canonical SMILES for ethanamine;4-piperidin-1-ylpyridin-1-ium is CCN.c1cc(N2CCCCC2)cc[nH+]1.
What is the InChIKey of ethanamine;4-piperidin-1-ylpyridin-1-ium?
The InChIKey is ZNNUAOOICGHDKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14N2.C2H7N/c1-2-8-12(9-3-1)10-4-6-11-7-5-10;1-2-3/h4-7H,1-3,8-9H2;2-3H2,1H3/p+1.
What are the key properties of ethanamine;4-piperidin-1-ylpyridin-1-ium?
ethanamine;4-piperidin-1-ylpyridin-1-ium has a molecular weight of 208.33 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;4-piperidin-1-ylpyridin-1-ium is sourced from PubChem (CID 142565329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).