(2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol

C19H26N4O2 — CID 95351729

IUPAC(2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
SMILESCc1ccc(N2CCC[C@@H](NC[C@H](O)COc3ccccc3)C2)nn1
InChIInChI=1S/C19H26N4O2/c1-15-9-10-19(22-21-15)23-11-5-6-16(13-23)20-12-17(24)14-25-18-7-3-2-4-8-18/h2-4,7-10,16-17,20,24H,5-6,11-14H2,1H3/t16-,17+/m1/s1
InChIKeyYYZQPLDAKKWHFQ-SJORKVTESA-N
MW342.44 g/mol
LogP1.78
Rot. Bonds7

About (2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol

(2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol (PubChem CID 95351729) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
PubChem CID95351729
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
SMILESCc1ccc(N2CCC[C@@H](NC[C@H](O)COc3ccccc3)C2)nn1
InChIInChI=1S/C19H26N4O2/c1-15-9-10-19(22-21-15)23-11-5-6-16(13-23)20-12-17(24)14-25-18-7-3-2-4-8-18/h2-4,7-10,16-17,20,24H,5-6,11-14H2,1H3/t16-,17+/m1/s1
InChIKeyYYZQPLDAKKWHFQ-SJORKVTESA-N
XLogP1.78
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 98761235
(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95348610
(2S)-1-phenylmethoxy-3-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propan-2-ol
CID 95610322
(2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 98761227
(3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
CID 97186357
(2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-phenoxypropan-2-ol
CID 95347987
(3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 95339381
(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95340373
(3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
CID 95340378
(3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
CID 95347521
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
4-fluoro-3-[[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]methyl]benzonitrile
CID 97186348

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol (CID 95351729) is (2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol is Cc1ccc(N2CCC[C@@H](NC[C@H](O)COc3ccccc3)C2)nn1.
What is the InChIKey of (2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol?
The InChIKey is YYZQPLDAKKWHFQ-SJORKVTESA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-9-10-19(22-21-15)23-11-5-6-16(13-23)20-12-17(24)14-25-18-7-3-2-4-8-18/h2-4,7-10,16-17,20,24H,5-6,11-14H2,1H3/t16-,17+/m1/s1.
What are the key properties of (2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol?
(2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol has a molecular weight of 342.44 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 95351729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).