N-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine

C17H28N4 — CID 63169327

IUPACN-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCC(N3CCCCC3)C2)nc1
InChIInChI=1S/C17H28N4/c1-2-18-12-15-6-7-17(19-13-15)21-11-8-16(14-21)20-9-4-3-5-10-20/h6-7,13,16,18H,2-5,8-12,14H2,1H3
InChIKeyRDWLEXQXFUWBTN-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.26
Rot. Bonds5

About N-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine

N-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 63169327) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID63169327
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(N2CCC(N3CCCCC3)C2)nc1
InChIInChI=1S/C17H28N4/c1-2-18-12-15-6-7-17(19-13-15)21-11-8-16(14-21)20-9-4-3-5-10-20/h6-7,13,16,18H,2-5,8-12,14H2,1H3
InChIKeyRDWLEXQXFUWBTN-UHFFFAOYSA-N
XLogP2.26
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]ethanamine
CID 80634216
N-[[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-pyridinyl]methyl]propan-2-amine
CID 63151739
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-pyridinyl]methyl]ethanamine
CID 79925273
2-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228184
1-[1-[5-(ethylaminomethyl)-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836727
[4-[5-(ethylaminomethyl)-2-pyridinyl]morpholin-2-yl]methanol
CID 81204265
N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80636109
2-[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridinyl]ethanamine
CID 80635052
N-[[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 63151278
N-[[6-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288556
1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626663
1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 80630040

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 63169327) is N-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(N2CCC(N3CCCCC3)C2)nc1.
What is the InChIKey of N-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is RDWLEXQXFUWBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-2-18-12-15-6-7-17(19-13-15)21-11-8-16(14-21)20-9-4-3-5-10-20/h6-7,13,16,18H,2-5,8-12,14H2,1H3.
What are the key properties of N-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 288.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-piperidin-1-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 63169327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).