(2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol

C17H28N4O3S — CID 133486332

IUPAC(2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1
InChIInChI=1S/C17H28N4O3S/c1-15(22)14-19-9-11-20(12-10-19)17-6-5-16(13-18-17)25(23,24)21-7-3-2-4-8-21/h5-6,13,15,22H,2-4,7-12,14H2,1H3/t15-/m1/s1
InChIKeyIRALLDJXKPSJCZ-OAHLLOKOSA-N
MW368.50 g/mol
LogP0.76
Rot. Bonds5

About (2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol

(2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol (PubChem CID 133486332) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is (2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol
PubChem CID133486332
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name(2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1
InChIInChI=1S/C17H28N4O3S/c1-15(22)14-19-9-11-20(12-10-19)17-6-5-16(13-18-17)25(23,24)21-7-3-2-4-8-21/h5-6,13,15,22H,2-4,7-12,14H2,1H3/t15-/m1/s1
InChIKeyIRALLDJXKPSJCZ-OAHLLOKOSA-N
XLogP0.76
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 55370178
1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 3000054
1-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]sulfonylazepane
CID 24606772
1-propyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 133322500
5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine
CID 133307271
1-(4-methylphenyl)sulfonyl-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 16567822
(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol
CID 136583777
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558
(1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol
CID 32605808
cyclopentyl-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 36727474
2-ethyl-4-[[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 133272924
(4-methylphenyl)-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methanone
CID 60505605

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol (CID 133486332) is (2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol is C[C@@H](O)CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1.
What is the InChIKey of (2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol?
The InChIKey is IRALLDJXKPSJCZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-15(22)14-19-9-11-20(12-10-19)17-6-5-16(13-18-17)25(23,24)21-7-3-2-4-8-21/h5-6,13,15,22H,2-4,7-12,14H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol?
(2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol has a molecular weight of 368.50 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133486332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).