2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane

C25H31N3O3 — CID 157188587

IUPAC2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane
SMILESC.Nc1nc(-c2c(O)cccc2OCc2ccccc2)cc(C2CCCNC2)c1CO
InChIInChI=1S/C24H27N3O3.CH4/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;/h1-4,6-7,9-10,12,17,26,28-29H,5,8,11,13-15H2,(H2,25,27);1H4
InChIKeyAPKRBZQKMPXQBH-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.21
Rot. Bonds6

About 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane

2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane (PubChem CID 157188587) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane.

Molecular Properties

Compound Name2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane
PubChem CID157188587
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane
SMILESC.Nc1nc(-c2c(O)cccc2OCc2ccccc2)cc(C2CCCNC2)c1CO
InChIInChI=1S/C24H27N3O3.CH4/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;/h1-4,6-7,9-10,12,17,26,28-29H,5,8,11,13-15H2,(H2,25,27);1H4
InChIKeyAPKRBZQKMPXQBH-UHFFFAOYSA-N
XLogP4.21
TPSA100.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol
CID 135453352
2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride
CID 135550596
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-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol
CID 135481185
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride
CID 135618266
2-phenylmethoxy-4-piperidin-3-ylphenol
CID 117455625
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-butoxyphenol
CID 142686901
7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;ethane
CID 142804159

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane?
The IUPAC name of 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane (CID 157188587) is 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane.
What is the SMILES notation for 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane?
The canonical SMILES for 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane is C.Nc1nc(-c2c(O)cccc2OCc2ccccc2)cc(C2CCCNC2)c1CO.
What is the InChIKey of 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane?
The InChIKey is APKRBZQKMPXQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3.CH4/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;/h1-4,6-7,9-10,12,17,26,28-29H,5,8,11,13-15H2,(H2,25,27);1H4.
What are the key properties of 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane?
2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane has a molecular weight of 421.54 g/mol, XLogP of 4.21, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane is sourced from PubChem (CID 157188587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).