N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine

C15H24ClN3 — CID 62287828

IUPACN-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCC(CC)CC2)c(Cl)c1
InChIInChI=1S/C15H24ClN3/c1-3-12-5-7-19(8-6-12)15-14(16)9-13(11-18-15)10-17-4-2/h9,11-12,17H,3-8,10H2,1-2H3
InChIKeyDSIBKCPZZBMLHJ-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.47
Rot. Bonds5

About N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine

N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 62287828) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID62287828
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC NameN-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCC(CC)CC2)c(Cl)c1
InChIInChI=1S/C15H24ClN3/c1-3-12-5-7-19(8-6-12)15-14(16)9-13(11-18-15)10-17-4-2/h9,11-12,17H,3-8,10H2,1-2H3
InChIKeyDSIBKCPZZBMLHJ-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((4-chlorophenyl)methyl)pyridin-2-amine
CID 89881
1-(3,5-Dichloropyridin-2-yl)piperazine
CID 2771431
1-(5-Chloropyridin-2-yl)piperazine
CID 3805301
1-(3-Chloropyridin-2-yl)piperazine
CID 11412944
(4-Chloro-benzyl)-(4-methyl-pyridin-2-yl)-amine
CID 975620
N-p-Chlorobenzyl-N',N'-dimethyl-N-2-pyridylethylenediamine hydrochloride
CID 25294
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane
CID 735734
1-(5-Chloropyridin-2-yl)-3-(2-phenylethyl)thiourea
CID 3001255
1-[(6-Chloro-3-pyridinyl)methyl]piperidin-2-imine
CID 10176882
1-(6-Chloro-3-pyridyl)methyl-2-imino-1,2,3,4,5,6-hexahydropyrimidine
CID 10176894
1-(3-Chloropyridin-2-yl)-4-methylpiperazine
CID 11959098
US9205085, Msx-219
CID 49857487

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 62287828) is N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(N2CCC(CC)CC2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is DSIBKCPZZBMLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-3-12-5-7-19(8-6-12)15-14(16)9-13(11-18-15)10-17-4-2/h9,11-12,17H,3-8,10H2,1-2H3.
What are the key properties of N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 281.83 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62287828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).