(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol

C10H12Cl2N2O — CID 107225530

IUPAC(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol
SMILESO[C@H]1CCCN(c2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C10H12Cl2N2O/c11-7-4-9(12)10(13-5-7)14-3-1-2-8(15)6-14/h4-5,8,15H,1-3,6H2/t8-/m0/s1
InChIKeyDBQYPLRZSXIRJM-QMMMGPOBSA-N
MW247.12 g/mol
LogP2.35
Rot. Bonds1

About (3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol

(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol (PubChem CID 107225530) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is (3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol
PubChem CID107225530
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol
SMILESO[C@H]1CCCN(c2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C10H12Cl2N2O/c11-7-4-9(12)10(13-5-7)14-3-1-2-8(15)6-14/h4-5,8,15H,1-3,6H2/t8-/m0/s1
InChIKeyDBQYPLRZSXIRJM-QMMMGPOBSA-N
XLogP2.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)azepan-4-ol
CID 128509432
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166600860
1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol
CID 102750356
(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol
CID 103580205
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354027
3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314667
5-amino-6-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 103467569
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806
3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine
CID 124851075
2-(4-bromo-3-methylpiperidin-1-yl)-3,5-dichloropyridine
CID 114682770
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171994214
5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43590552

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol?
The IUPAC name of (3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol (CID 107225530) is (3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol is O[C@H]1CCCN(c2ncc(Cl)cc2Cl)C1.
What is the InChIKey of (3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol?
The InChIKey is DBQYPLRZSXIRJM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c11-7-4-9(12)10(13-5-7)14-3-1-2-8(15)6-14/h4-5,8,15H,1-3,6H2/t8-/m0/s1.
What are the key properties of (3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol?
(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol has a molecular weight of 247.12 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol is sourced from PubChem (CID 107225530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).