(1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol

C19H26N4O — CID 95764452

IUPAC(1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
SMILESCc1ccc(N2CCC[C@H](N(C)C[C@H](O)c3ccccc3)C2)nn1
InChIInChI=1S/C19H26N4O/c1-15-10-11-19(21-20-15)23-12-6-9-17(13-23)22(2)14-18(24)16-7-4-3-5-8-16/h3-5,7-8,10-11,17-18,24H,6,9,12-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyCRFIIWKWEHYLJG-ROUUACIJSA-N
MW326.44 g/mol
LogP2.42
Rot. Bonds5

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

(1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol (PubChem CID 95764452) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
PubChem CID95764452
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
SMILESCc1ccc(N2CCC[C@H](N(C)C[C@H](O)c3ccccc3)C2)nn1
InChIInChI=1S/C19H26N4O/c1-15-10-11-19(21-20-15)23-12-6-9-17(13-23)22(2)14-18(24)16-7-4-3-5-8-16/h3-5,7-8,10-11,17-18,24H,6,9,12-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyCRFIIWKWEHYLJG-ROUUACIJSA-N
XLogP2.42
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1S)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
CID 100838546
2-[methyl-(1-methylpiperidin-3-yl)amino]-1-phenylethanol
CID 62547685
(3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 95757599
(1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol
CID 97069243
(2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 98761227
1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 121118534
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
(2S)-1-[methyl-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 95334988
2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide
CID 56802061
N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine
CID 138022659
(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

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol (CID 95764452) is (1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol is Cc1ccc(N2CCC[C@H](N(C)C[C@H](O)c3ccccc3)C2)nn1.
What is the InChIKey of (1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol?
The InChIKey is CRFIIWKWEHYLJG-ROUUACIJSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-10-11-19(21-20-15)23-12-6-9-17(13-23)22(2)14-18(24)16-7-4-3-5-8-16/h3-5,7-8,10-11,17-18,24H,6,9,12-14H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol?
(1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol has a molecular weight of 326.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol is sourced from PubChem (CID 95764452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).