N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine

C16H27N3O — CID 83122477

IUPACN-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CCC(OC)CC2)cn1
InChIInChI=1S/C16H27N3O/c1-4-9-17-13(2)16-6-5-14(12-18-16)19-10-7-15(20-3)8-11-19/h5-6,12-13,15,17H,4,7-11H2,1-3H3
InChIKeyOVYKSQJODAWFQM-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.76
Rot. Bonds6

About N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine

N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 83122477) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
PubChem CID83122477
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CCC(OC)CC2)cn1
InChIInChI=1S/C16H27N3O/c1-4-9-17-13(2)16-6-5-14(12-18-16)19-10-7-15(20-3)8-11-19/h5-6,12-13,15,17H,4,7-11H2,1-3H3
InChIKeyOVYKSQJODAWFQM-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine (CID 83122477) is N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(N2CCC(OC)CC2)cn1.
What is the InChIKey of N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is OVYKSQJODAWFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-9-17-13(2)16-6-5-14(12-18-16)19-10-7-15(20-3)8-11-19/h5-6,12-13,15,17H,4,7-11H2,1-3H3.
What are the key properties of N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 83122477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).