[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone

C14H21N3O2 — CID 82246572

IUPAC[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESCC(C)C1CN(C(=O)c2cccnc2)C(CO)CN1
InChIInChI=1S/C14H21N3O2/c1-10(2)13-8-17(12(9-18)7-16-13)14(19)11-4-3-5-15-6-11/h3-6,10,12-13,16,18H,7-9H2,1-2H3
InChIKeyXTPAHNSVMFPIQT-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.51
Rot. Bonds3

About [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone

[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 82246572) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID82246572
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone
SMILESCC(C)C1CN(C(=O)c2cccnc2)C(CO)CN1
InChIInChI=1S/C14H21N3O2/c1-10(2)13-8-17(12(9-18)7-16-13)14(19)11-4-3-5-15-6-11/h3-6,10,12-13,16,18H,7-9H2,1-2H3
InChIKeyXTPAHNSVMFPIQT-UHFFFAOYSA-N
XLogP0.51
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylpropyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 82250597
(2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 64978518
(5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 82244528
[5,5-dimethyl-2-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 82248285
[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 82245518
2-ethyl-5-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine
CID 64831744
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine
CID 64937734
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 128988547
2,5-di(propan-2-yl)-1-pyridin-3-ylpiperazine
CID 64952663
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642
ethane;2-methyl-1-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 163264781

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone (CID 82246572) is [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone is CC(C)C1CN(C(=O)c2cccnc2)C(CO)CN1.
What is the InChIKey of [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is XTPAHNSVMFPIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)13-8-17(12(9-18)7-16-13)14(19)11-4-3-5-15-6-11/h3-6,10,12-13,16,18H,7-9H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone?
[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 263.34 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 82246572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).