[(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol

C12H19N3O — CID 134494366

IUPAC[(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol
SMILESCc1cnc(N2CCNC[C@@H]2CO)c(C)c1
InChIInChI=1S/C12H19N3O/c1-9-5-10(2)12(14-6-9)15-4-3-13-7-11(15)8-16/h5-6,11,13,16H,3-4,7-8H2,1-2H3/t11-/m1/s1
InChIKeyLHVMGXCFIASGFG-LLVKDONJSA-N
MW221.30 g/mol
LogP0.47
Rot. Bonds2

About [(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol

[(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol (PubChem CID 134494366) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol
PubChem CID134494366
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol
SMILESCc1cnc(N2CCNC[C@@H]2CO)c(C)c1
InChIInChI=1S/C12H19N3O/c1-9-5-10(2)12(14-6-9)15-4-3-13-7-11(15)8-16/h5-6,11,13,16H,3-4,7-8H2,1-2H3/t11-/m1/s1
InChIKeyLHVMGXCFIASGFG-LLVKDONJSA-N
XLogP0.47
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol?
The IUPAC name of [(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol (CID 134494366) is [(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol is Cc1cnc(N2CCNC[C@@H]2CO)c(C)c1.
What is the InChIKey of [(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol?
The InChIKey is LHVMGXCFIASGFG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-5-10(2)12(14-6-9)15-4-3-13-7-11(15)8-16/h5-6,11,13,16H,3-4,7-8H2,1-2H3/t11-/m1/s1.
What are the key properties of [(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol?
[(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3,5-dimethyl-2-pyridinyl)piperazin-2-yl]methanol is sourced from PubChem (CID 134494366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).