(2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol

C19H26N4O2 — CID 95334988

IUPAC(2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol
SMILESCN(C[C@H](O)COc1ccccc1)[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H26N4O2/c1-22(14-17(24)15-25-18-8-3-2-4-9-18)16-7-6-12-23(13-16)19-10-5-11-20-21-19/h2-5,8-11,16-17,24H,6-7,12-15H2,1H3/t16-,17+/m1/s1
InChIKeyLMZXCVAZAICUBC-SJORKVTESA-N
MW342.44 g/mol
LogP1.82
Rot. Bonds7

About (2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol

(2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol (PubChem CID 95334988) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol
PubChem CID95334988
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol
SMILESCN(C[C@H](O)COc1ccccc1)[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H26N4O2/c1-22(14-17(24)15-25-18-8-3-2-4-9-18)16-7-6-12-23(13-16)19-10-5-11-20-21-19/h2-5,8-11,16-17,24H,6-7,12-15H2,1H3/t16-,17+/m1/s1
InChIKeyLMZXCVAZAICUBC-SJORKVTESA-N
XLogP1.82
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol with MolForge

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Related Compounds

1-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-3-phenoxypropan-2-ol
CID 56778258
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
(3R)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95334723
(2S)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-3-propan-2-yloxypropan-2-ol
CID 97018679
1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol
CID 111106340
N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 56778147
(3R)-N-methyl-N-(2-pyrazol-1-ylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95336321
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
CID 119879672
(3S)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 95334844
(2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol
CID 95610322
(3R)-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95600043
(1S)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
CID 100838546

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol (CID 95334988) is (2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol is CN(C[C@H](O)COc1ccccc1)[C@@H]1CCCN(c2cccnn2)C1.
What is the InChIKey of (2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol?
The InChIKey is LMZXCVAZAICUBC-SJORKVTESA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(14-17(24)15-25-18-8-3-2-4-9-18)16-7-6-12-23(13-16)19-10-5-11-20-21-19/h2-5,8-11,16-17,24H,6-7,12-15H2,1H3/t16-,17+/m1/s1.
What are the key properties of (2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol?
(2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol has a molecular weight of 342.44 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 95334988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).