[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone

C15H23N3O2 — CID 95351719

IUPAC[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCC[C@@H](O)CN1CCN(C(=O)c2cccc(C)n2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-13(19)11-17-7-9-18(10-8-17)15(20)14-6-4-5-12(2)16-14/h4-6,13,19H,3,7-11H2,1-2H3/t13-/m1/s1
InChIKeyQVKSSGIRVYERJZ-CYBMUJFWSA-N
MW277.37 g/mol
LogP0.92
Rot. Bonds4

About [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone

[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 95351719) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID95351719
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCC[C@@H](O)CN1CCN(C(=O)c2cccc(C)n2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-13(19)11-17-7-9-18(10-8-17)15(20)14-6-4-5-12(2)16-14/h4-6,13,19H,3,7-11H2,1-2H3/t13-/m1/s1
InChIKeyQVKSSGIRVYERJZ-CYBMUJFWSA-N
XLogP0.92
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 95613262
2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]pentanenitrile
CID 63337910
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95613160
2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
CID 167780535
cyclopropyl-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]methanone
CID 32890940
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80665013
1-(6-methylpyridine-2-carbonyl)piperidin-4-one
CID 24708249
[4-(1-chloroethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 106838767
[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 111109390
2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide
CID 166001796
N-(2-ethylphenyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 32709303

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 95351719) is [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone is CC[C@@H](O)CN1CCN(C(=O)c2cccc(C)n2)CC1.
What is the InChIKey of [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is QVKSSGIRVYERJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-13(19)11-17-7-9-18(10-8-17)15(20)14-6-4-5-12(2)16-14/h4-6,13,19H,3,7-11H2,1-2H3/t13-/m1/s1.
What are the key properties of [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 277.37 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 95351719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).