1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine

C20H25Cl5N4O2 — CID 162142355

IUPAC1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine
SMILESClc1cc(Cl)nc(Cl)c1.OC1CCN(c2cc(Cl)nc(Cl)c2)CC1.OC1CCNCC1
InChIInChI=1S/C10H12Cl2N2O.C5H2Cl3N.C5H11NO/c11-9-5-7(6-10(12)13-9)14-3-1-8(15)2-4-14;6-3-1-4(7)9-5(8)2-3;7-5-1-3-6-4-2-5/h5-6,8,15H,1-4H2;1-2H;5-7H,1-4H2
InChIKeyZKCAWZWDKUZPAJ-UHFFFAOYSA-N
MW530.71 g/mol
LogP5.12
Rot. Bonds1

About 1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine

1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine (PubChem CID 162142355) has the molecular formula C20H25Cl5N4O2 and a molecular weight of 530.71 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine.

Molecular Properties

Compound Name1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine
PubChem CID162142355
Molecular FormulaC20H25Cl5N4O2
Molecular Weight530.71 g/mol
Exact Mass528.04
IUPAC Name1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine
SMILESClc1cc(Cl)nc(Cl)c1.OC1CCN(c2cc(Cl)nc(Cl)c2)CC1.OC1CCNCC1
InChIInChI=1S/C10H12Cl2N2O.C5H2Cl3N.C5H11NO/c11-9-5-7(6-10(12)13-9)14-3-1-8(15)2-4-14;6-3-1-4(7)9-5(8)2-3;7-5-1-3-6-4-2-5/h5-6,8,15H,1-4H2;1-2H;5-7H,1-4H2
InChIKeyZKCAWZWDKUZPAJ-UHFFFAOYSA-N
XLogP5.12
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.71
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine
CID 159726941
1-(2-chloro-6-iodo-4-pyridinyl)piperazine
CID 86054641
1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol
CID 130569673
1-[3-[[2-chloro-6-(4-hydroxypiperidin-1-yl)-4-pyridinyl]amino]phenyl]ethanone;1-[3-[(2,6-dichloro-4-pyridinyl)amino]phenyl]ethanone;piperidin-4-ol
CID 160999715
methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate
CID 87174001
1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol
CID 72687128
1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane
CID 145146069
1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol
CID 159231607
6-chloro-N,N-diethyl-4-piperazin-1-ylpyridin-2-amine
CID 19379437
1-[6-[(5-cyclopropyl-2-pyridinyl)amino]-4-piperazin-1-yl-2-pyridinyl]piperidin-4-ol
CID 177317959
1-(3,5,6-trichloro-2-pyridinyl)piperidin-4-ol
CID 102750128
1-(2-methyl-6-phenyl-4-pyridinyl)piperidin-4-ol
CID 143206385

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine?
The IUPAC name of 1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine (CID 162142355) is 1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine.
What is the SMILES notation for 1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine?
The canonical SMILES for 1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine is Clc1cc(Cl)nc(Cl)c1.OC1CCN(c2cc(Cl)nc(Cl)c2)CC1.OC1CCNCC1.
What is the InChIKey of 1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine?
The InChIKey is ZKCAWZWDKUZPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O.C5H2Cl3N.C5H11NO/c11-9-5-7(6-10(12)13-9)14-3-1-8(15)2-4-14;6-3-1-4(7)9-5(8)2-3;7-5-1-3-6-4-2-5/h5-6,8,15H,1-4H2;1-2H;5-7H,1-4H2.
What are the key properties of 1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine?
1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine has a molecular weight of 530.71 g/mol, XLogP of 5.12, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-pyridinyl)piperidin-4-ol;piperidin-4-ol;2,4,6-trichloropyridine is sourced from PubChem (CID 162142355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).