2-[6-(4-tert-butyl-2-methylpiperazin-1-yl)-3-pyridinyl]propan-2-ol

C17H29N3O — CID 129268145

IUPAC2-[6-(4-tert-butyl-2-methylpiperazin-1-yl)-3-pyridinyl]propan-2-ol
SMILESCC1CN(C(C)(C)C)CCN1c1ccc(C(C)(C)O)cn1
InChIInChI=1S/C17H29N3O/c1-13-12-19(16(2,3)4)9-10-20(13)15-8-7-14(11-18-15)17(5,6)21/h7-8,11,13,21H,9-10,12H2,1-6H3
InChIKeyBSYOWTFAJICMLI-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.62
Rot. Bonds2

About 2-[6-(4-tert-butyl-2-methylpiperazin-1-yl)-3-pyridinyl]propan-2-ol

2-[6-(4-tert-butyl-2-methylpiperazin-1-yl)-3-pyridinyl]propan-2-ol (PubChem CID 129268145) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[6-(4-tert-butyl-2-methylpiperazin-1-yl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(4-tert-butyl-2-methylpiperazin-1-yl)-3-pyridinyl]propan-2-ol
PubChem CID129268145
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[6-(4-tert-butyl-2-methylpiperazin-1-yl)-3-pyridinyl]propan-2-ol
SMILESCC1CN(C(C)(C)C)CCN1c1ccc(C(C)(C)O)cn1
InChIInChI=1S/C17H29N3O/c1-13-12-19(16(2,3)4)9-10-20(13)15-8-7-14(11-18-15)17(5,6)21/h7-8,11,13,21H,9-10,12H2,1-6H3
InChIKeyBSYOWTFAJICMLI-UHFFFAOYSA-N
XLogP2.62
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
CID 72539347
2-[5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
CID 59191657
2-[4-[(3E)-3-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]penta-1,3-dien-2-yl]anilino]ethanol
CID 89302876
[1-(5-tert-butyl-2-pyridinyl)piperidin-2-yl]methanol
CID 107875282
7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane
CID 18459724
2-(6-fluoro-3-pyridinyl)propan-2-ol
CID 69476595
(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 67046038
6-[(2R,5R)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 67514233
4-[6-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-pyridinyl]benzonitrile
CID 174557016
2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
CID 59191552
6-(2,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62331437
1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone
CID 167420915

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-tert-butyl-2-methylpiperazin-1-yl)-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-(4-tert-butyl-2-methylpiperazin-1-yl)-3-pyridinyl]propan-2-ol (CID 129268145) is 2-[6-(4-tert-butyl-2-methylpiperazin-1-yl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-(4-tert-butyl-2-methylpiperazin-1-yl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-(4-tert-butyl-2-methylpiperazin-1-yl)-3-pyridinyl]propan-2-ol is CC1CN(C(C)(C)C)CCN1c1ccc(C(C)(C)O)cn1.
What is the InChIKey of 2-[6-(4-tert-butyl-2-methylpiperazin-1-yl)-3-pyridinyl]propan-2-ol?
The InChIKey is BSYOWTFAJICMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-12-19(16(2,3)4)9-10-20(13)15-8-7-14(11-18-15)17(5,6)21/h7-8,11,13,21H,9-10,12H2,1-6H3.
What are the key properties of 2-[6-(4-tert-butyl-2-methylpiperazin-1-yl)-3-pyridinyl]propan-2-ol?
2-[6-(4-tert-butyl-2-methylpiperazin-1-yl)-3-pyridinyl]propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-tert-butyl-2-methylpiperazin-1-yl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 129268145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).