(2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol

C14H23N3O2 — CID 70652178

IUPAC(2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol
SMILESCc1cc(C[C@@H](O)CO)cnc1N1CCN[C@H](C)C1
InChIInChI=1S/C14H23N3O2/c1-10-5-12(6-13(19)9-18)7-16-14(10)17-4-3-15-11(2)8-17/h5,7,11,13,15,18-19H,3-4,6,8-9H2,1-2H3/t11-,13-/m1/s1
InChIKeyFWYCQOQIUUVTQM-DGCLKSJQSA-N
MW265.36 g/mol
LogP0.08
Rot. Bonds4

About (2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol

(2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol (PubChem CID 70652178) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol
PubChem CID70652178
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol
SMILESCc1cc(C[C@@H](O)CO)cnc1N1CCN[C@H](C)C1
InChIInChI=1S/C14H23N3O2/c1-10-5-12(6-13(19)9-18)7-16-14(10)17-4-3-15-11(2)8-17/h5,7,11,13,15,18-19H,3-4,6,8-9H2,1-2H3/t11-,13-/m1/s1
InChIKeyFWYCQOQIUUVTQM-DGCLKSJQSA-N
XLogP0.08
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol?
The IUPAC name of (2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol (CID 70652178) is (2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol is Cc1cc(C[C@@H](O)CO)cnc1N1CCN[C@H](C)C1.
What is the InChIKey of (2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol?
The InChIKey is FWYCQOQIUUVTQM-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-5-12(6-13(19)9-18)7-16-14(10)17-4-3-15-11(2)8-17/h5,7,11,13,15,18-19H,3-4,6,8-9H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of (2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol?
(2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol has a molecular weight of 265.36 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[5-methyl-6-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]propane-1,2-diol is sourced from PubChem (CID 70652178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).