2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride

C21H27ClN4O2 — CID 162324206

IUPAC2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride
SMILESCC(C)COc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1.Cl
InChIInChI=1S/C21H26N4O2.ClH/c1-13(2)12-27-19-5-3-4-18(26)20(19)17-10-15(14-6-8-24-9-7-14)16(11-22)21(23)25-17;/h3-5,10,13-14,24,26H,6-9,12H2,1-2H3,(H2,23,25);1H
InChIKeyYAOOMHPNWXFOGT-UHFFFAOYSA-N
MW402.93 g/mol
LogP3.83
Rot. Bonds5

About 2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride

2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride (PubChem CID 162324206) has the molecular formula C21H27ClN4O2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride
PubChem CID162324206
Molecular FormulaC21H27ClN4O2
Molecular Weight402.93 g/mol
Exact Mass402.18
IUPAC Name2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride
SMILESCC(C)COc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1.Cl
InChIInChI=1S/C21H26N4O2.ClH/c1-13(2)12-27-19-5-3-4-18(26)20(19)17-10-15(14-6-8-24-9-7-14)16(11-22)21(23)25-17;/h3-5,10,13-14,24,26H,6-9,12H2,1-2H3,(H2,23,25);1H
InChIKeyYAOOMHPNWXFOGT-UHFFFAOYSA-N
XLogP3.83
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
CID 136916075
2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride
CID 162307678
2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
CID 142128791
2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
CID 142128735
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-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile
CID 56863982
2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
CID 135550626
2-amino-4-[2-(benzylamino)ethylamino]-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]pyridine-3-carbonitrile;hydrochloride
CID 159287388
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol
CID 135461062
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride (CID 162324206) is 2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride is CC(C)COc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1.Cl.
What is the InChIKey of 2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride?
The InChIKey is YAOOMHPNWXFOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.ClH/c1-13(2)12-27-19-5-3-4-18(26)20(19)17-10-15(14-6-8-24-9-7-14)16(11-22)21(23)25-17;/h3-5,10,13-14,24,26H,6-9,12H2,1-2H3,(H2,23,25);1H.
What are the key properties of 2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride?
2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride has a molecular weight of 402.93 g/mol, XLogP of 3.83, 5 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-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 162324206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).