N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine

C16H25N3O — CID 62282985

IUPACN-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCOC1CCN(c2ncccc2CNC2CC2)CC1
InChIInChI=1S/C16H25N3O/c1-2-20-15-7-10-19(11-8-15)16-13(4-3-9-17-16)12-18-14-5-6-14/h3-4,9,14-15,18H,2,5-8,10-12H2,1H3
InChIKeyUSQOGFBLOHELDB-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.34
Rot. Bonds6

About N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62282985) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62282985
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCCOC1CCN(c2ncccc2CNC2CC2)CC1
InChIInChI=1S/C16H25N3O/c1-2-20-15-7-10-19(11-8-15)16-13(4-3-9-17-16)12-18-14-5-6-14/h3-4,9,14-15,18H,2,5-8,10-12H2,1H3
InChIKeyUSQOGFBLOHELDB-UHFFFAOYSA-N
XLogP2.34
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-methoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62279070
N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62282809
N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 79164505
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283630
N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62281766
N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methyl]cyclopropanamine
CID 114412833
4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)-3-fluoropyridine
CID 105383508
N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105389234
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 79918672
2-[2-(3-ethoxypiperidin-1-yl)-3-pyridinyl]ethanamine
CID 114057439
N-[[2-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283293
N-methyl-1-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62286090

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 62282985) is N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine is CCOC1CCN(c2ncccc2CNC2CC2)CC1.
What is the InChIKey of N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is USQOGFBLOHELDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-20-15-7-10-19(11-8-15)16-13(4-3-9-17-16)12-18-14-5-6-14/h3-4,9,14-15,18H,2,5-8,10-12H2,1H3.
What are the key properties of N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 275.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62282985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).