N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine

C15H24ClN3O — CID 114928248

IUPACN-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(OCCN2CCCCC2)ncc1Cl
InChIInChI=1S/C15H24ClN3O/c1-2-17-11-13-10-15(18-12-14(13)16)20-9-8-19-6-4-3-5-7-19/h10,12,17H,2-9,11H2,1H3
InChIKeyGTWANUUBBBMBQJ-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.71
Rot. Bonds7

About N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine

N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 114928248) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID114928248
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(OCCN2CCCCC2)ncc1Cl
InChIInChI=1S/C15H24ClN3O/c1-2-17-11-13-10-15(18-12-14(13)16)20-9-8-19-6-4-3-5-7-19/h10,12,17H,2-9,11H2,1H3
InChIKeyGTWANUUBBBMBQJ-UHFFFAOYSA-N
XLogP2.71
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928249
N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine
CID 114927663
N-[[6-(2-piperidin-1-ylethoxy)pyridazin-3-yl]methyl]ethanamine
CID 62297868
N-[[4-methyl-2-(2-pyrrolidin-1-ylethoxy)pyrimidin-5-yl]methyl]ethanamine
CID 83189831
N-[[2-chloro-6-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 114319127
N-[[5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 115961189
N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 60883674
4-chloro-6-(2-piperidin-1-ylethoxy)pyrimidine
CID 61277940
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]ethanamine
CID 79776328
N-[[5-chloro-2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114929138
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879
1-[3-chloro-6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62297186

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine (CID 114928248) is N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1cc(OCCN2CCCCC2)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is GTWANUUBBBMBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-2-17-11-13-10-15(18-12-14(13)16)20-9-8-19-6-4-3-5-7-19/h10,12,17H,2-9,11H2,1H3.
What are the key properties of N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine?
N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 297.83 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114928248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).