(1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol

C12H18ClN3O — CID 129499743

IUPAC(1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESCc1nc(Cl)cc(N2CCCC[C@H]2[C@@H](C)O)n1
InChIInChI=1S/C12H18ClN3O/c1-8(17)10-5-3-4-6-16(10)12-7-11(13)14-9(2)15-12/h7-8,10,17H,3-6H2,1-2H3/t8-,10+/m1/s1
InChIKeyTXKFECBGFUFFSC-SCZZXKLOSA-N
MW255.75 g/mol
LogP2.18
Rot. Bonds2

About (1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol

(1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol (PubChem CID 129499743) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is (1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol
PubChem CID129499743
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name(1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol
SMILESCc1nc(Cl)cc(N2CCCC[C@H]2[C@@H](C)O)n1
InChIInChI=1S/C12H18ClN3O/c1-8(17)10-5-3-4-6-16(10)12-7-11(13)14-9(2)15-12/h7-8,10,17H,3-6H2,1-2H3/t8-,10+/m1/s1
InChIKeyTXKFECBGFUFFSC-SCZZXKLOSA-N
XLogP2.18
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol (CID 129499743) is (1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol is Cc1nc(Cl)cc(N2CCCC[C@H]2[C@@H](C)O)n1.
What is the InChIKey of (1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol?
The InChIKey is TXKFECBGFUFFSC-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8(17)10-5-3-4-6-16(10)12-7-11(13)14-9(2)15-12/h7-8,10,17H,3-6H2,1-2H3/t8-,10+/m1/s1.
What are the key properties of (1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol?
(1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol has a molecular weight of 255.75 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 129499743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).