N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine

C16H26ClN3 — CID 114926213

IUPACN-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(N2CCC(CC)CC2)ncc1Cl
InChIInChI=1S/C16H26ClN3/c1-3-7-18-11-14-10-16(19-12-15(14)17)20-8-5-13(4-2)6-9-20/h10,12-13,18H,3-9,11H2,1-2H3
InChIKeyDMZSTTKQPNREPV-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.86
Rot. Bonds6

About N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine

N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine (PubChem CID 114926213) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
PubChem CID114926213
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC NameN-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(N2CCC(CC)CC2)ncc1Cl
InChIInChI=1S/C16H26ClN3/c1-3-7-18-11-14-10-16(19-12-15(14)17)20-8-5-13(4-2)6-9-20/h10,12-13,18H,3-9,11H2,1-2H3
InChIKeyDMZSTTKQPNREPV-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 103503053
N-[[5-chloro-2-(4-ethylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926598
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114926217
1-[5-chloro-2-(4-ethylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926597
N-[[5-chloro-2-(3-ethylpyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927110
N-[[5-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-pyridinyl]methyl]propan-1-amine
CID 114926315
N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114925992
N-[[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287831
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103502948
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-4-pyridinyl]methyl]ethanamine
CID 114926849
1-[5-chloro-2-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926604
N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114924960

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine (CID 114926213) is N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(N2CCC(CC)CC2)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
The InChIKey is DMZSTTKQPNREPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-3-7-18-11-14-10-16(19-12-15(14)17)20-8-5-13(4-2)6-9-20/h10,12-13,18H,3-9,11H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine?
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine has a molecular weight of 295.86 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114926213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).