1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol

C16H27N3O — CID 115940446

IUPAC1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCN(C(C)CC)CC2)cn1
InChIInChI=1S/C16H27N3O/c1-4-13(3)18-8-10-19(11-9-18)14-6-7-15(17-12-14)16(20)5-2/h6-7,12-13,16,20H,4-5,8-11H2,1-3H3
InChIKeyONLGBEJXGTVSNJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.45
Rot. Bonds5

About 1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol

1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol (PubChem CID 115940446) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
PubChem CID115940446
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCN(C(C)CC)CC2)cn1
InChIInChI=1S/C16H27N3O/c1-4-13(3)18-8-10-19(11-9-18)14-6-7-15(17-12-14)16(20)5-2/h6-7,12-13,16,20H,4-5,8-11H2,1-3H3
InChIKeyONLGBEJXGTVSNJ-UHFFFAOYSA-N
XLogP2.45
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(5-thiomorpholin-4-yl-2-pyridinyl)propan-1-ol
CID 103938335
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
(1R)-1-[5-(4,4-diethylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938741
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585215
(1R)-1-[5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]propan-1-ol
CID 103938818
(1R)-1-[5-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]propan-1-ol
CID 103938687
(1S)-1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-pyridinyl]propan-1-ol
CID 103938701
1-[5-(1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-ol
CID 112585414
1-[5-(3-methylpyrrolidin-1-yl)-2-pyridinyl]propan-1-ol
CID 112585309
1-[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]-4-methylazepan-4-ol
CID 107405251
1-[6-(1-hydroxypropyl)-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102959840
4-(4-butan-2-ylpiperazin-1-yl)phenol;dihydrobromide
CID 20519340

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol (CID 115940446) is 1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(N2CCN(C(C)CC)CC2)cn1.
What is the InChIKey of 1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol?
The InChIKey is ONLGBEJXGTVSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-13(3)18-8-10-19(11-9-18)14-6-7-15(17-12-14)16(20)5-2/h6-7,12-13,16,20H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol?
1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-butan-2-ylpiperazin-1-yl)-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 115940446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).