2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone

C14H22N4O2 — CID 79156397

IUPAC2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
SMILESCc1ccc(O)c(CN(C)CC(=O)N2CCNCC2)n1
InChIInChI=1S/C14H22N4O2/c1-11-3-4-13(19)12(16-11)9-17(2)10-14(20)18-7-5-15-6-8-18/h3-4,15,19H,5-10H2,1-2H3
InChIKeyFJRYKYRXHZYYDU-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.04
Rot. Bonds4

About 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone

2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone (PubChem CID 79156397) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
PubChem CID79156397
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
SMILESCc1ccc(O)c(CN(C)CC(=O)N2CCNCC2)n1
InChIInChI=1S/C14H22N4O2/c1-11-3-4-13(19)12(16-11)9-17(2)10-14(20)18-7-5-15-6-8-18/h3-4,15,19H,5-10H2,1-2H3
InChIKeyFJRYKYRXHZYYDU-UHFFFAOYSA-N
XLogP-0.04
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 114321058
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
2-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61017271
2-[(3,4-dimethylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018544
2-[(2-chloro-4-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62470919
2-[methyl-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]-1-piperazin-1-ylethanone;dihydrochloride
CID 119915071
2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 55025197
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62134144
2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915157
2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61017902

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone (CID 79156397) is 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone is Cc1ccc(O)c(CN(C)CC(=O)N2CCNCC2)n1.
What is the InChIKey of 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The InChIKey is FJRYKYRXHZYYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-3-4-13(19)12(16-11)9-17(2)10-14(20)18-7-5-15-6-8-18/h3-4,15,19H,5-10H2,1-2H3.
What are the key properties of 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone?
2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone has a molecular weight of 278.36 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-6-methyl-2-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 79156397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).