(1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol

C14H23N3O — CID 114087398

IUPAC(1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(N2CCN(C)CC2C)cn1
InChIInChI=1S/C14H23N3O/c1-4-14(18)13-6-5-12(9-15-13)17-8-7-16(3)10-11(17)2/h5-6,9,11,14,18H,4,7-8,10H2,1-3H3/t11?,14-/m1/s1
InChIKeyMNIFHXMYPMELHA-SBXXRYSUSA-N
MW249.36 g/mol
LogP1.67
Rot. Bonds3

About (1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol

(1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol (PubChem CID 114087398) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
PubChem CID114087398
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(N2CCN(C)CC2C)cn1
InChIInChI=1S/C14H23N3O/c1-4-14(18)13-6-5-12(9-15-13)17-8-7-16(3)10-11(17)2/h5-6,9,11,14,18H,4,7-8,10H2,1-3H3/t11?,14-/m1/s1
InChIKeyMNIFHXMYPMELHA-SBXXRYSUSA-N
XLogP1.67
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585309
1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102959840
(1R)-1-[5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 102782283
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585215
(1R)-1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]propan-1-ol
CID 113355334
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]propan-1-ol
CID 115940385
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
1-[5-(2-ethyl-5-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585503
7-[6-(1-hydroxypropyl)-3-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 115940487
(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol
CID 103938818
(1S)-1-[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]propan-1-ol
CID 103938404
(1S)-1-[5-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 102959932

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol?
The IUPAC name of (1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol (CID 114087398) is (1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol is CC[C@@H](O)c1ccc(N2CCN(C)CC2C)cn1.
What is the InChIKey of (1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol?
The InChIKey is MNIFHXMYPMELHA-SBXXRYSUSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-14(18)13-6-5-12(9-15-13)17-8-7-16(3)10-11(17)2/h5-6,9,11,14,18H,4,7-8,10H2,1-3H3/t11?,14-/m1/s1.
What are the key properties of (1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol?
(1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(2,4-dimethylpiperazin-1-yl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 114087398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).