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

C16H27N3O — CID 81247761

IUPACN-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCCOC1CCCN(c2ccncc2CNC(C)C)C1
InChIInChI=1S/C16H27N3O/c1-4-20-15-6-5-9-19(12-15)16-7-8-17-10-14(16)11-18-13(2)3/h7-8,10,13,15,18H,4-6,9,11-12H2,1-3H3
InChIKeyDTZSIUCNDSKUKE-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.58
Rot. Bonds6

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

N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81247761) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID81247761
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCCOC1CCCN(c2ccncc2CNC(C)C)C1
InChIInChI=1S/C16H27N3O/c1-4-20-15-6-5-9-19(12-15)16-7-8-17-10-14(16)11-18-13(2)3/h7-8,10,13,15,18H,4-6,9,11-12H2,1-3H3
InChIKeyDTZSIUCNDSKUKE-UHFFFAOYSA-N
XLogP2.58
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-Morpholinyl)phenyl]-4-pyridinemethanamine
CID 788565
[3-(Morpholin-4-yl)propyl][(pyridin-4-yl)methyl]amine
CID 3152148
2-(Morpholin-4-yl)-2-(pyrid-3-yl)ethylamine
CID 4988991
4-Morpholinopyridine
CID 4145413
(2-(Morpholin-4-yl)ethyl)(pyridin-4-ylmethyl)amine
CID 3152379
14-Oxa-11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide
CID 118724729
4,14-Dioxa-11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide
CID 118724731
4-Oxa-11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide
CID 118724733
1-(3-Methyl-4-pyridinyl)piperazine
CID 10797395
4-(Morpholin-4-yl)pyridin-3-amine
CID 3060378
N-ethyl-1-(pyridin-4-yl)piperidin-4-amine
CID 43166642
1-(Pyridin-4-yl)-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3150972

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine (CID 81247761) is N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine is CCOC1CCCN(c2ccncc2CNC(C)C)C1.
What is the InChIKey of N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is DTZSIUCNDSKUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-20-15-6-5-9-19(12-15)16-7-8-17-10-14(16)11-18-13(2)3/h7-8,10,13,15,18H,4-6,9,11-12H2,1-3H3.
What are the key properties of N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81247761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).