1-(4-methylpiperidin-1-yl)-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol

C18H31N5O — CID 56802789

IUPAC1-(4-methylpiperidin-1-yl)-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol
SMILESCC1CCN(CC(O)CNC2CCCN(c3cccnn3)C2)CC1
InChIInChI=1S/C18H31N5O/c1-15-6-10-22(11-7-15)14-17(24)12-19-16-4-3-9-23(13-16)18-5-2-8-20-21-18/h2,5,8,15-17,19,24H,3-4,6-7,9-14H2,1H3
InChIKeyVXGVIFHGWRVZIO-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.13
Rot. Bonds6

About 1-(4-methylpiperidin-1-yl)-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol

1-(4-methylpiperidin-1-yl)-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol (PubChem CID 56802789) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol
PubChem CID56802789
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name1-(4-methylpiperidin-1-yl)-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol
SMILESCC1CCN(CC(O)CNC2CCCN(c3cccnn3)C2)CC1
InChIInChI=1S/C18H31N5O/c1-15-6-10-22(11-7-15)14-17(24)12-19-16-4-3-9-23(13-16)18-5-2-8-20-21-18/h2,5,8,15-17,19,24H,3-4,6-7,9-14H2,1H3
InChIKeyVXGVIFHGWRVZIO-UHFFFAOYSA-N
XLogP1.13
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol (CID 56802789) is 1-(4-methylpiperidin-1-yl)-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol is CC1CCN(CC(O)CNC2CCCN(c3cccnn3)C2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol?
The InChIKey is VXGVIFHGWRVZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-15-6-10-22(11-7-15)14-17(24)12-19-16-4-3-9-23(13-16)18-5-2-8-20-21-18/h2,5,8,15-17,19,24H,3-4,6-7,9-14H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol?
1-(4-methylpiperidin-1-yl)-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol has a molecular weight of 333.48 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol is sourced from PubChem (CID 56802789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).