(1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol

C12H18ClN3O — CID 129320636

IUPAC(1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCc1nc(Cl)cc(N2CCC[C@@H]([C@@H](C)O)C2)n1
InChIInChI=1S/C12H18ClN3O/c1-8(17)10-4-3-5-16(7-10)12-6-11(13)14-9(2)15-12/h6,8,10,17H,3-5,7H2,1-2H3/t8-,10-/m1/s1
InChIKeyNUERYJMXCFSQBR-PSASIEDQSA-N
MW255.75 g/mol
LogP2.04
Rot. Bonds2

About (1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol

(1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol (PubChem CID 129320636) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is (1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
PubChem CID129320636
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name(1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCc1nc(Cl)cc(N2CCC[C@@H]([C@@H](C)O)C2)n1
InChIInChI=1S/C12H18ClN3O/c1-8(17)10-4-3-5-16(7-10)12-6-11(13)14-9(2)15-12/h6,8,10,17H,3-5,7H2,1-2H3/t8-,10-/m1/s1
InChIKeyNUERYJMXCFSQBR-PSASIEDQSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol with MolForge

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Related Compounds

1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)ethanol
CID 385224
(1-(((2-Amino-6-chloro-4-pyrimidinyl)(methyl)amino)methyl)cyclobutyl)methanol
CID 385244
[1-(6-Chloropyrimidin-4-yl)piperidin-3-yl]methanol
CID 22309478
[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 106766891
1-(6-Chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol
CID 156640978
(3S,4S)-1-(6-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 129381023
4-[[[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106137420
1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 106767029
[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 106767232
6-chloro-N-methyl-N-(oxan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767824
3-[[[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]cyclobutan-1-ol
CID 106768008
1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 106768142

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol?
The IUPAC name of (1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol (CID 129320636) is (1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol?
The canonical SMILES for (1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol is Cc1nc(Cl)cc(N2CCC[C@@H]([C@@H](C)O)C2)n1.
What is the InChIKey of (1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol?
The InChIKey is NUERYJMXCFSQBR-PSASIEDQSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8(17)10-4-3-5-16(7-10)12-6-11(13)14-9(2)15-12/h6,8,10,17H,3-5,7H2,1-2H3/t8-,10-/m1/s1.
What are the key properties of (1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol?
(1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol has a molecular weight of 255.75 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 129320636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).