2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol

C18H25N3O2 — CID 146125966

IUPAC2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol
SMILESOCC(CO)NCc1cc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C18H25N3O2/c22-12-16(13-23)19-11-15-10-14-6-2-3-7-17(14)20-18(15)21-8-4-1-5-9-21/h2-3,6-7,10,16,19,22-23H,1,4-5,8-9,11-13H2
InChIKeyIWGDGHVVWPHIAN-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.67
Rot. Bonds6

About 2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol

2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol (PubChem CID 146125966) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol
PubChem CID146125966
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol
SMILESOCC(CO)NCc1cc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C18H25N3O2/c22-12-16(13-23)19-11-15-10-14-6-2-3-7-17(14)20-18(15)21-8-4-1-5-9-21/h2-3,6-7,10,16,19,22-23H,1,4-5,8-9,11-13H2
InChIKeyIWGDGHVVWPHIAN-UHFFFAOYSA-N
XLogP1.67
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol (CID 146125966) is 2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol is OCC(CO)NCc1cc2ccccc2nc1N1CCCCC1.
What is the InChIKey of 2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol?
The InChIKey is IWGDGHVVWPHIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-12-16(13-23)19-11-15-10-14-6-2-3-7-17(14)20-18(15)21-8-4-1-5-9-21/h2-3,6-7,10,16,19,22-23H,1,4-5,8-9,11-13H2.
What are the key properties of 2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol?
2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol has a molecular weight of 315.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 146125966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).