5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine

C17H30N4O — CID 120838198

IUPAC5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCOCCN(C)c1ccc(CN2CCC(C(C)N)CC2)cn1
InChIInChI=1S/C17H30N4O/c1-14(18)16-6-8-21(9-7-16)13-15-4-5-17(19-12-15)20(2)10-11-22-3/h4-5,12,14,16H,6-11,13,18H2,1-3H3
InChIKeyGSOQKVMNDSBSER-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.72
Rot. Bonds7

About 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine

5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine (PubChem CID 120838198) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
PubChem CID120838198
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCOCCN(C)c1ccc(CN2CCC(C(C)N)CC2)cn1
InChIInChI=1S/C17H30N4O/c1-14(18)16-6-8-21(9-7-16)13-15-4-5-17(19-12-15)20(2)10-11-22-3/h4-5,12,14,16H,6-11,13,18H2,1-3H3
InChIKeyGSOQKVMNDSBSER-UHFFFAOYSA-N
XLogP1.72
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine (CID 120838198) is 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine is COCCN(C)c1ccc(CN2CCC(C(C)N)CC2)cn1.
What is the InChIKey of 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The InChIKey is GSOQKVMNDSBSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-14(18)16-6-8-21(9-7-16)13-15-4-5-17(19-12-15)20(2)10-11-22-3/h4-5,12,14,16H,6-11,13,18H2,1-3H3.
What are the key properties of 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine has a molecular weight of 306.45 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 120838198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).