2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride

C24H26ClN3O3 — CID 135550596

IUPAC2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride
SMILESCl.Nc1nc(-c2c(O)cccc2OCc2ccccc2)cc(C2CCCNC2)c1C=O
InChIInChI=1S/C24H25N3O3.ClH/c25-24-19(14-28)18(17-8-5-11-26-13-17)12-20(27-24)23-21(29)9-4-10-22(23)30-15-16-6-2-1-3-7-16;/h1-4,6-7,9-10,12,14,17,26,29H,5,8,11,13,15H2,(H2,25,27);1H
InChIKeyUAILDKYDKXKQFB-UHFFFAOYSA-N
MW439.94 g/mol
LogP4.32
Rot. Bonds6

About 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride

2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride (PubChem CID 135550596) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride
PubChem CID135550596
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride
SMILESCl.Nc1nc(-c2c(O)cccc2OCc2ccccc2)cc(C2CCCNC2)c1C=O
InChIInChI=1S/C24H25N3O3.ClH/c25-24-19(14-28)18(17-8-5-11-26-13-17)12-20(27-24)23-21(29)9-4-10-22(23)30-15-16-6-2-1-3-7-16;/h1-4,6-7,9-10,12,14,17,26,29H,5,8,11,13,15H2,(H2,25,27);1H
InChIKeyUAILDKYDKXKQFB-UHFFFAOYSA-N
XLogP4.32
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane
CID 157188587
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol
CID 142686963
3-[(4-tert-butylphenyl)methoxy]-2-(5,6-diamino-4-piperidin-3-yl-2-pyridinyl)phenol
CID 136634040
2-amino-6-[2-hydroxy-6-[(4-methylphenyl)methoxy]phenyl]-4-piperidin-3-ylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 169430295
2-amino-6-[2-hydroxy-6-(naphthalen-2-ylmethoxy)phenyl]-4-piperidin-3-ylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 160960323
2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol
CID 135453352
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride
CID 135618266
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride
CID 142686934
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol
CID 135481185
2-phenylmethoxy-4-piperidin-3-ylphenol
CID 117455625
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol
CID 142686901
4-phenylmethoxy-3-piperidin-3-yl-1H-indole
CID 82212323

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride?
The IUPAC name of 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride (CID 135550596) is 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride.
What is the SMILES notation for 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride?
The canonical SMILES for 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride is Cl.Nc1nc(-c2c(O)cccc2OCc2ccccc2)cc(C2CCCNC2)c1C=O.
What is the InChIKey of 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride?
The InChIKey is UAILDKYDKXKQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3.ClH/c25-24-19(14-28)18(17-8-5-11-26-13-17)12-20(27-24)23-21(29)9-4-10-22(23)30-15-16-6-2-1-3-7-16;/h1-4,6-7,9-10,12,14,17,26,29H,5,8,11,13,15H2,(H2,25,27);1H.
What are the key properties of 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride?
2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride has a molecular weight of 439.94 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride is sourced from PubChem (CID 135550596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).