(2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone

C19H23N3O2 — CID 70737293

IUPAC(2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCCCC2CCc2cccc(O)c2)ccn1
InChIInChI=1S/C19H23N3O2/c20-18-13-15(9-10-21-18)19(24)22-11-2-1-5-16(22)8-7-14-4-3-6-17(23)12-14/h3-4,6,9-10,12-13,16,23H,1-2,5,7-8,11H2,(H2,20,21)
InChIKeyBVPKHBQSYNELJQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.00
Rot. Bonds4

About (2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone

(2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 70737293) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
PubChem CID70737293
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CCCCC2CCc2cccc(O)c2)ccn1
InChIInChI=1S/C19H23N3O2/c20-18-13-15(9-10-21-18)19(24)22-11-2-1-5-16(22)8-7-14-4-3-6-17(23)12-14/h3-4,6,9-10,12-13,16,23H,1-2,5,7-8,11H2,(H2,20,21)
InChIKeyBVPKHBQSYNELJQ-UHFFFAOYSA-N
XLogP3.00
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone
CID 131919452
1-[(2R)-2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione
CID 95477017
[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 70774316
1-[2-[(2S)-2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 95550989
[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 70786804
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96579588
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250409
N-(2-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethyl]piperidine-1-carboxamide
CID 56882244
[2-(2-aminoethyl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 63753376
1-[1-(3-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 79553762
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 84580383
(2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97207141

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone (CID 70737293) is (2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone is Nc1cc(C(=O)N2CCCCC2CCc2cccc(O)c2)ccn1.
What is the InChIKey of (2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is BVPKHBQSYNELJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c20-18-13-15(9-10-21-18)19(24)22-11-2-1-5-16(22)8-7-14-4-3-6-17(23)12-14/h3-4,6,9-10,12-13,16,23H,1-2,5,7-8,11H2,(H2,20,21).
What are the key properties of (2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone?
(2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 70737293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).