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

C12H16Cl2N2O — CID 106993477

IUPAC[1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C12H16Cl2N2O/c13-11-2-1-10(12(14)15-11)7-16-5-3-9(8-17)4-6-16/h1-2,9,17H,3-8H2
InChIKeyHJEWSTPKCBCEQM-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.59
Rot. Bonds3

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

[1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol (PubChem CID 106993477) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is [1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol
PubChem CID106993477
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name[1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol
SMILESOCC1CCN(Cc2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C12H16Cl2N2O/c13-11-2-1-10(12(14)15-11)7-16-5-3-9(8-17)4-6-16/h1-2,9,17H,3-8H2
InChIKeyHJEWSTPKCBCEQM-UHFFFAOYSA-N
XLogP2.59
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol
CID 106993424
(3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 106994957
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
N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine
CID 106994959
1-[(2,6-dichloro-3-pyridinyl)methyl]-4-methylazepane
CID 106993775
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 114858032
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

Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol (CID 106993477) is [1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol is OCC1CCN(Cc2ccc(Cl)nc2Cl)CC1.
What is the InChIKey of [1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol?
The InChIKey is HJEWSTPKCBCEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c13-11-2-1-10(12(14)15-11)7-16-5-3-9(8-17)4-6-16/h1-2,9,17H,3-8H2.
What are the key properties of [1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol?
[1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol has a molecular weight of 275.18 g/mol, XLogP of 2.59, 3 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-yl]methanol is sourced from PubChem (CID 106993477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).