1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol

C11H14Cl2N2O — CID 110904761

IUPAC1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C11H14Cl2N2O/c12-10-4-8(5-11(13)14-10)6-15-3-1-2-9(16)7-15/h4-5,9,16H,1-3,6-7H2
InChIKeyNPZMYXPVFREYMM-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.35
Rot. Bonds2

About 1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol

1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol (PubChem CID 110904761) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol
PubChem CID110904761
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C11H14Cl2N2O/c12-10-4-8(5-11(13)14-10)6-15-3-1-2-9(16)7-15/h4-5,9,16H,1-3,6-7H2
InChIKeyNPZMYXPVFREYMM-UHFFFAOYSA-N
XLogP2.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol (CID 110904761) is 1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol is OC1CCCN(Cc2cc(Cl)nc(Cl)c2)C1.
What is the InChIKey of 1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol?
The InChIKey is NPZMYXPVFREYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c12-10-4-8(5-11(13)14-10)6-15-3-1-2-9(16)7-15/h4-5,9,16H,1-3,6-7H2.
What are the key properties of 1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol?
1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol has a molecular weight of 261.15 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol is sourced from PubChem (CID 110904761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).