(2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol

C19H26N4O2 — CID 95610322

IUPAC(2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol
SMILESO[C@@H](CN[C@H]1CCCN(c2cccnn2)C1)COCc1ccccc1
InChIInChI=1S/C19H26N4O2/c24-18(15-25-14-16-6-2-1-3-7-16)12-20-17-8-5-11-23(13-17)19-9-4-10-21-22-19/h1-4,6-7,9-10,17-18,20,24H,5,8,11-15H2/t17-,18-/m0/s1
InChIKeyFSCRUUYXGYTQDI-ROUUACIJSA-N
MW342.44 g/mol
LogP1.61
Rot. Bonds8

About (2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol

(2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol (PubChem CID 95610322) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol
PubChem CID95610322
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol
SMILESO[C@@H](CN[C@H]1CCCN(c2cccnn2)C1)COCc1ccccc1
InChIInChI=1S/C19H26N4O2/c24-18(15-25-14-16-6-2-1-3-7-16)12-20-17-8-5-11-23(13-17)19-9-4-10-21-22-19/h1-4,6-7,9-10,17-18,20,24H,5,8,11-15H2/t17-,18-/m0/s1
InChIKeyFSCRUUYXGYTQDI-ROUUACIJSA-N
XLogP1.61
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol with MolForge

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Related Compounds

(1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol
CID 95338968
1-[(1-methylpyrrolidin-3-yl)amino]-3-phenylmethoxypropan-2-ol
CID 61462412
(2R)-1-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 98761235
(2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 95351729
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119125214
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
1-pyridazin-3-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119127379
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127383
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol (CID 95610322) is (2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol is O[C@@H](CN[C@H]1CCCN(c2cccnn2)C1)COCc1ccccc1.
What is the InChIKey of (2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol?
The InChIKey is FSCRUUYXGYTQDI-ROUUACIJSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18(15-25-14-16-6-2-1-3-7-16)12-20-17-8-5-11-23(13-17)19-9-4-10-21-22-19/h1-4,6-7,9-10,17-18,20,24H,5,8,11-15H2/t17-,18-/m0/s1.
What are the key properties of (2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol?
(2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol has a molecular weight of 342.44 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol is sourced from PubChem (CID 95610322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).