2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol

C22H31N3O3 — CID 135453352

IUPAC2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol
SMILESCC(C)(C)COc1cccc(O)c1-c1cc(C2CCCNC2)c(CO)c(N)n1
InChIInChI=1S/C22H31N3O3/c1-22(2,3)13-28-19-8-4-7-18(27)20(19)17-10-15(14-6-5-9-24-11-14)16(12-26)21(23)25-17/h4,7-8,10,14,24,26-27H,5-6,9,11-13H2,1-3H3,(H2,23,25)
InChIKeyICGXFLJTVZTHPV-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.42
Rot. Bonds5

About 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol

2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol (PubChem CID 135453352) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol.

Molecular Properties

Compound Name2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol
PubChem CID135453352
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol
SMILESCC(C)(C)COc1cccc(O)c1-c1cc(C2CCCNC2)c(CO)c(N)n1
InChIInChI=1S/C22H31N3O3/c1-22(2,3)13-28-19-8-4-7-18(27)20(19)17-10-15(14-6-5-9-24-11-14)16(12-26)21(23)25-17/h4,7-8,10,14,24,26-27H,5-6,9,11-13H2,1-3H3,(H2,23,25)
InChIKeyICGXFLJTVZTHPV-UHFFFAOYSA-N
XLogP3.42
TPSA100.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.42
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-phenylmethoxyphenol;methane
CID 157188587
3-[(4-tert-butylphenyl)methoxy]-2-(5,6-diamino-4-piperidin-3-yl-2-pyridinyl)phenol
CID 136634040
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-ethoxyphenol;dihydrochloride
CID 135618266
2-amino-6-[2-hydroxy-6-[(4-methylphenyl)methoxy]phenyl]-4-piperidin-3-ylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 169430295
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol
CID 142686901
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol
CID 135481185
7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;ethane
CID 142804159
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-phenylmethoxyphenol
CID 142686963
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-(2-phenoxypropoxy)phenol
CID 135461062

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol?
The IUPAC name of 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol (CID 135453352) is 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol.
What is the SMILES notation for 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol?
The canonical SMILES for 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol is CC(C)(C)COc1cccc(O)c1-c1cc(C2CCCNC2)c(CO)c(N)n1.
What is the InChIKey of 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol?
The InChIKey is ICGXFLJTVZTHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-22(2,3)13-28-19-8-4-7-18(27)20(19)17-10-15(14-6-5-9-24-11-14)16(12-26)21(23)25-17/h4,7-8,10,14,24,26-27H,5-6,9,11-13H2,1-3H3,(H2,23,25).
What are the key properties of 2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol?
2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol has a molecular weight of 385.51 g/mol, XLogP of 3.42, 5 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-(2,2-dimethylpropoxy)phenol is sourced from PubChem (CID 135453352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).