2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile

C23H30N4O — CID 142128791

IUPAC2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESCCCCCCc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1
InChIInChI=1S/C23H30N4O/c1-2-3-4-5-7-17-8-6-9-21(28)22(17)20-14-18(16-10-12-26-13-11-16)19(15-24)23(25)27-20/h6,8-9,14,16,26,28H,2-5,7,10-13H2,1H3,(H2,25,27)
InChIKeyKXVGEAJQJDWDKF-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.50
Rot. Bonds7

About 2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile

2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile (PubChem CID 142128791) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
PubChem CID142128791
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESCCCCCCc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1
InChIInChI=1S/C23H30N4O/c1-2-3-4-5-7-17-8-6-9-21(28)22(17)20-14-18(16-10-12-26-13-11-16)19(15-24)23(25)27-20/h6,8-9,14,16,26,28H,2-5,7,10-13H2,1H3,(H2,25,27)
InChIKeyKXVGEAJQJDWDKF-UHFFFAOYSA-N
XLogP4.50
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
CID 142128735
2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride
CID 162324206
2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
CID 136916075
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
4-(3-butyl-2-methylphenyl)piperidine
CID 130378004
2-amino-6-[2-hydroxy-6-(naphthalen-2-ylmethoxy)phenyl]-4-piperidin-3-ylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 160960323
2-decylphenol;hydrazine
CID 159983030
2-(2-dodecylphenyl)-3-nonylphenol
CID 174697962
1-cyclopropyl-2-hexylbenzene
CID 172995295
2-butyl-6-octylaniline
CID 154074002
ethyl 3-[6-amino-5-cyano-4-[(3R)-oxolan-3-yl]-2-pyridinyl]benzoate
CID 95543421

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile (CID 142128791) is 2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile is CCCCCCc1cccc(O)c1-c1cc(C2CCNCC2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The InChIKey is KXVGEAJQJDWDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-2-3-4-5-7-17-8-6-9-21(28)22(17)20-14-18(16-10-12-26-13-11-16)19(15-24)23(25)27-20/h6,8-9,14,16,26,28H,2-5,7,10-13H2,1H3,(H2,25,27).
What are the key properties of 2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile has a molecular weight of 378.52 g/mol, XLogP of 4.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 142128791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).