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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol
CID 129434601
N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120840257
5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120841116
5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843449
5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
CID 120843448
5-[(4-aminopiperidin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120834439
5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120843047
N-(2-methoxyethyl)-N-methyl-5-[(2-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120837108
5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 107081177
(3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one
CID 124846522
1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805
N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
CID 124729154

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).