2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol

C14H23N3O — CID 73440500

IUPAC2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol
SMILESCN(C)c1cccc(C2CCCN(CCO)C2)n1
InChIInChI=1S/C14H23N3O/c1-16(2)14-7-3-6-13(15-14)12-5-4-8-17(11-12)9-10-18/h3,6-7,12,18H,4-5,8-11H2,1-2H3
InChIKeySKIAAXNECISOST-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.32
Rot. Bonds4

About 2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol

2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol (PubChem CID 73440500) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol
PubChem CID73440500
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol
SMILESCN(C)c1cccc(C2CCCN(CCO)C2)n1
InChIInChI=1S/C14H23N3O/c1-16(2)14-7-3-6-13(15-14)12-5-4-8-17(11-12)9-10-18/h3,6-7,12,18H,4-5,8-11H2,1-2H3
InChIKeySKIAAXNECISOST-UHFFFAOYSA-N
XLogP1.32
TPSA39.60 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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol (CID 73440500) is 2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol is CN(C)c1cccc(C2CCCN(CCO)C2)n1.
What is the InChIKey of 2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol?
The InChIKey is SKIAAXNECISOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16(2)14-7-3-6-13(15-14)12-5-4-8-17(11-12)9-10-18/h3,6-7,12,18H,4-5,8-11H2,1-2H3.
What are the key properties of 2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol?
2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol has a molecular weight of 249.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(dimethylamino)-2-pyridinyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 73440500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).