[(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidin-2-yl]methanol

C10H13Cl2N3O — CID 130227036

IUPAC[(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidin-2-yl]methanol
SMILESOC[C@@H]1CCCCN1c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C10H13Cl2N3O/c11-8-5-9(14-10(12)13-8)15-4-2-1-3-7(15)6-16/h5,7,16H,1-4,6H2/t7-/m0/s1
InChIKeyALLVGDPFJBWENU-ZETCQYMHSA-N
MW262.14 g/mol
LogP2.13
Rot. Bonds2

About [(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidin-2-yl]methanol

[(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidin-2-yl]methanol (PubChem CID 130227036) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is [(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidin-2-yl]methanol
PubChem CID130227036
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC Name[(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidin-2-yl]methanol
SMILESOC[C@@H]1CCCCN1c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C10H13Cl2N3O/c11-8-5-9(14-10(12)13-8)15-4-2-1-3-7(15)6-16/h5,7,16H,1-4,6H2/t7-/m0/s1
InChIKeyALLVGDPFJBWENU-ZETCQYMHSA-N
XLogP2.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 129322392
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CID 106767029
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CID 106767188
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CID 106767480
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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidin-2-yl]methanol (CID 130227036) is [(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidin-2-yl]methanol is OC[C@@H]1CCCCN1c1cc(Cl)nc(Cl)n1.
What is the InChIKey of [(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidin-2-yl]methanol?
The InChIKey is ALLVGDPFJBWENU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c11-8-5-9(14-10(12)13-8)15-4-2-1-3-7(15)6-16/h5,7,16H,1-4,6H2/t7-/m0/s1.
What are the key properties of [(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidin-2-yl]methanol?
[(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidin-2-yl]methanol has a molecular weight of 262.14 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,6-dichloropyrimidin-4-yl)piperidin-2-yl]methanol is sourced from PubChem (CID 130227036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).