1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol

C14H23N3O — CID 83122376

IUPAC1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol
SMILESCCNC(C)c1ccc(N2CCC(O)CC2)cn1
InChIInChI=1S/C14H23N3O/c1-3-15-11(2)14-5-4-12(10-16-14)17-8-6-13(18)7-9-17/h4-5,10-11,13,15,18H,3,6-9H2,1-2H3
InChIKeyBXMXZHJDUDETNV-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.71
Rot. Bonds4

About 1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol

1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol (PubChem CID 83122376) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol
PubChem CID83122376
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol
SMILESCCNC(C)c1ccc(N2CCC(O)CC2)cn1
InChIInChI=1S/C14H23N3O/c1-3-15-11(2)14-5-4-12(10-16-14)17-8-6-13(18)7-9-17/h4-5,10-11,13,15,18H,3,6-9H2,1-2H3
InChIKeyBXMXZHJDUDETNV-UHFFFAOYSA-N
XLogP1.71
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol (CID 83122376) is 1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol is CCNC(C)c1ccc(N2CCC(O)CC2)cn1.
What is the InChIKey of 1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol?
The InChIKey is BXMXZHJDUDETNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-15-11(2)14-5-4-12(10-16-14)17-8-6-13(18)7-9-17/h4-5,10-11,13,15,18H,3,6-9H2,1-2H3.
What are the key properties of 1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol?
1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol has a molecular weight of 249.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 83122376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).