1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine

C14H23N3O — CID 113370657

IUPAC1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine
SMILESCCOc1cccnc1N1CCC(C(C)N)CC1
InChIInChI=1S/C14H23N3O/c1-3-18-13-5-4-8-16-14(13)17-9-6-12(7-10-17)11(2)15/h4-5,8,11-12H,3,6-7,9-10,15H2,1-2H3
InChIKeyZORNICWOVLFDOQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.04
Rot. Bonds4

About 1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine

1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine (PubChem CID 113370657) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine
PubChem CID113370657
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine
SMILESCCOc1cccnc1N1CCC(C(C)N)CC1
InChIInChI=1S/C14H23N3O/c1-3-18-13-5-4-8-16-14(13)17-9-6-12(7-10-17)11(2)15/h4-5,8,11-12H,3,6-7,9-10,15H2,1-2H3
InChIKeyZORNICWOVLFDOQ-UHFFFAOYSA-N
XLogP2.04
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]pyrazol-3-amine
CID 107110311
(3S)-1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-ol
CID 104892918
(3aR,6aS)-5-(3-ethoxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042532
2-[1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114799454
2-[1-(3-ethoxy-2-pyridinyl)piperidin-3-yl]ethanol
CID 113371177
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 112634894
3-ethyl-1-(3-propan-2-yloxy-2-pyridinyl)azetidin-3-amine
CID 113371377
1-[1-(3-methylpyrazin-2-yl)pyrrolidin-3-yl]ethanamine
CID 103976639
3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 63596080
1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 66332963
4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 138008494
(3S)-1-(3-propoxy-2-pyridinyl)pyrrolidin-3-ol
CID 104892838

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine (CID 113370657) is 1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine is CCOc1cccnc1N1CCC(C(C)N)CC1.
What is the InChIKey of 1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine?
The InChIKey is ZORNICWOVLFDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-18-13-5-4-8-16-14(13)17-9-6-12(7-10-17)11(2)15/h4-5,8,11-12H,3,6-7,9-10,15H2,1-2H3.
What are the key properties of 1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine?
1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine has a molecular weight of 249.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxy-2-pyridinyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 113370657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).