(3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine

C17H28N4O2 — CID 124625483

IUPAC(3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCN(CCO[C@@H]1CCCCO1)[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C17H28N4O2/c1-20(11-13-23-17-8-2-3-12-22-17)15-6-5-10-21(14-15)16-7-4-9-18-19-16/h4,7,9,15,17H,2-3,5-6,8,10-14H2,1H3/t15-,17-/m1/s1
InChIKeyRQDYGXCCFXJZHB-NVXWUHKLSA-N
MW320.44 g/mol
LogP1.92
Rot. Bonds6

About (3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine

(3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 124625483) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID124625483
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCN(CCO[C@@H]1CCCCO1)[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C17H28N4O2/c1-20(11-13-23-17-8-2-3-12-22-17)15-6-5-10-21(14-15)16-7-4-9-18-19-16/h4,7,9,15,17H,2-3,5-6,8,10-14H2,1H3/t15-,17-/m1/s1
InChIKeyRQDYGXCCFXJZHB-NVXWUHKLSA-N
XLogP1.92
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 124625483) is (3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine is CN(CCO[C@@H]1CCCCO1)[C@@H]1CCCN(c2cccnn2)C1.
What is the InChIKey of (3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is RQDYGXCCFXJZHB-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-20(11-13-23-17-8-2-3-12-22-17)15-6-5-10-21(14-15)16-7-4-9-18-19-16/h4,7,9,15,17H,2-3,5-6,8,10-14H2,1H3/t15-,17-/m1/s1.
What are the key properties of (3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine?
(3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 320.44 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 124625483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).