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-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62285951
[1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]piperidin-4-yl]methanol
CID 80629576
N-[[5-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]ethanamine
CID 106589185
N-[[5-chloro-6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 63003113
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-[[5-chloro-6-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 103502958
N-[[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-chloro-3-pyridinyl]methyl]ethanamine
CID 102728376
N-[[5-chloro-6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62286936
1-[3-chloro-5-(methylaminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
CID 62281867
N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80638418
[6-(4-tert-butylpiperidin-1-yl)-5-chloro-3-pyridinyl]methanol
CID 62091450
N-[[5-chloro-2-(4-ethylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926598

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).