(1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol

C13H21N3O — CID 124501485

IUPAC(1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
SMILESCc1cc([C@@H](C)O)cnc1N1CCN(C)CC1
InChIInChI=1S/C13H21N3O/c1-10-8-12(11(2)17)9-14-13(10)16-6-4-15(3)5-7-16/h8-9,11,17H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyKNXNQCRDKXFHLW-LLVKDONJSA-N
MW235.33 g/mol
LogP1.20
Rot. Bonds2

About (1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol

(1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol (PubChem CID 124501485) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
PubChem CID124501485
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
SMILESCc1cc([C@@H](C)O)cnc1N1CCN(C)CC1
InChIInChI=1S/C13H21N3O/c1-10-8-12(11(2)17)9-14-13(10)16-6-4-15(3)5-7-16/h8-9,11,17H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyKNXNQCRDKXFHLW-LLVKDONJSA-N
XLogP1.20
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol with MolForge

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Related Compounds

4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde
CID 124501524
(1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol
CID 124501540
(S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol
CID 124501542
N-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 80628155
5-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
CID 102544875
5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-amine
CID 62477029
(1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine
CID 124501455
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
(1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine
CID 124501480
(E)-3-[5-methyl-6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 80633319
1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]propan-1-ol
CID 102545058
1-(6-methoxy-5-methyl-3-pyridinyl)ethanol
CID 102544501

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol (CID 124501485) is (1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol is Cc1cc([C@@H](C)O)cnc1N1CCN(C)CC1.
What is the InChIKey of (1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol?
The InChIKey is KNXNQCRDKXFHLW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-12(11(2)17)9-14-13(10)16-6-4-15(3)5-7-16/h8-9,11,17H,4-7H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol?
(1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol is sourced from PubChem (CID 124501485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).