(1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol

C19H25N3O2 — CID 95549741

IUPAC(1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol
SMILESCC[C@H](O)C1CCN(c2ccc(-c3ccccc3OC)nn2)CC1
InChIInChI=1S/C19H25N3O2/c1-3-17(23)14-10-12-22(13-11-14)19-9-8-16(20-21-19)15-6-4-5-7-18(15)24-2/h4-9,14,17,23H,3,10-13H2,1-2H3/t17-/m0/s1
InChIKeyRGTKRGLUOMHSKV-KRWDZBQOSA-N
MW327.43 g/mol
LogP3.14
Rot. Bonds5

About (1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol

(1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol (PubChem CID 95549741) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol
PubChem CID95549741
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol
SMILESCC[C@H](O)C1CCN(c2ccc(-c3ccccc3OC)nn2)CC1
InChIInChI=1S/C19H25N3O2/c1-3-17(23)14-10-12-22(13-11-14)19-9-8-16(20-21-19)15-6-4-5-7-18(15)24-2/h4-9,14,17,23H,3,10-13H2,1-2H3/t17-/m0/s1
InChIKeyRGTKRGLUOMHSKV-KRWDZBQOSA-N
XLogP3.14
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770334
3-(2-methoxyphenyl)-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridazine
CID 166260341
[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 30362919
N-butyl-1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 121071983
N-[(4-fluorophenyl)methyl]-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363214
3-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-6-(2-methoxyphenyl)pyridazine
CID 166260400
N-(3,4-dimethoxyphenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30363123
(4-benzhydrylpiperazin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 121071624
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30362950
N-(2,3-dichlorophenyl)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071987
[4-(3-methoxyphenyl)piperazin-1-yl]-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 121072002
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-pentylpiperidin-3-amine
CID 175425942

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol?
The IUPAC name of (1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol (CID 95549741) is (1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol is CC[C@H](O)C1CCN(c2ccc(-c3ccccc3OC)nn2)CC1.
What is the InChIKey of (1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol?
The InChIKey is RGTKRGLUOMHSKV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-17(23)14-10-12-22(13-11-14)19-9-8-16(20-21-19)15-6-4-5-7-18(15)24-2/h4-9,14,17,23H,3,10-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol?
(1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol has a molecular weight of 327.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 95549741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).