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

C11H14Cl2N2O — CID 106993424

IUPAC1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C11H14Cl2N2O/c12-10-2-1-8(11(13)14-10)7-15-5-3-9(16)4-6-15/h1-2,9,16H,3-7H2
InChIKeyQZXHMDUQMHKCBF-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.35
Rot. Bonds2

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

1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol (PubChem CID 106993424) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol
PubChem CID106993424
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C11H14Cl2N2O/c12-10-2-1-8(11(13)14-10)7-15-5-3-9(16)4-6-15/h1-2,9,16H,3-7H2
InChIKeyQZXHMDUQMHKCBF-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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Related Compounds

[1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 106993477
1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 104969517
2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 106993824
1-[(2,6-dichloro-3-pyridinyl)methyl]-4-methylazepane
CID 106993775
(3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 106994957
N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine
CID 106994959
3-cyclopropyl-1-[(2,6-dichloro-3-pyridinyl)methyl]azetidin-3-ol
CID 106995046
2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 106993757
1-[4-[(2,6-dichloro-3-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 106993660
5-[(2,6-dichloro-3-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106994934
ethyl 4-[(2,6-dichloro-3-pyridinyl)methyl]piperazine-1-carboxylate
CID 107260719
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol (CID 106993424) is 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol is OC1CCN(Cc2ccc(Cl)nc2Cl)CC1.
What is the InChIKey of 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol?
The InChIKey is QZXHMDUQMHKCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c12-10-2-1-8(11(13)14-10)7-15-5-3-9(16)4-6-15/h1-2,9,16H,3-7H2.
What are the key properties of 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol?
1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-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-3-pyridinyl)methyl]piperidin-4-ol is sourced from PubChem (CID 106993424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).