1-[2-(hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one

C12H19N3O2 — CID 4876348

IUPAC1-[2-(hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCCCC1CO
InChIInChI=1S/C12H19N3O2/c16-9-11-3-1-2-6-15(11)12(17)4-7-14-8-5-13-10-14/h5,8,10-11,16H,1-4,6-7,9H2
InChIKeyPDCAFVNUACYWSI-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.65
Rot. Bonds4

About 1-[2-(hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one

1-[2-(hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one (PubChem CID 4876348) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
PubChem CID4876348
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[2-(hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)N1CCCCC1CO
InChIInChI=1S/C12H19N3O2/c16-9-11-3-1-2-6-15(11)12(17)4-7-14-8-5-13-10-14/h5,8,10-11,16H,1-4,6-7,9H2
InChIKeyPDCAFVNUACYWSI-UHFFFAOYSA-N
XLogP0.65
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one
CID 4876352
(3S*,4R*)-1-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-4-(hydroxymethyl)-3-piperidinol
CID 56912514
(2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 125440782
N-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylimidazole-2-carboxamide
CID 164634748
1-(2-Hydroxyethyl)-3-(6-hydroxyhexyl)-imidazolium chloride
CID 177821506
[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methanol
CID 61355738
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-imidazol-1-ylhexanamide
CID 107482607
N-(2-hydroxyethyl)-3-imidazol-1-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 107483373
1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 110108491
(2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide
CID 59884892
2-(1H-imidazol-1-yl)-1-heptanol
CID 67900970
2-Hydroxy-3-imidazol-1-yl-2-methyl-1-piperidin-1-ylpropan-1-one
CID 68280391

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one (CID 4876348) is 1-[2-(hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one is O=C(CCn1ccnc1)N1CCCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
The InChIKey is PDCAFVNUACYWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-9-11-3-1-2-6-15(11)12(17)4-7-14-8-5-13-10-14/h5,8,10-11,16H,1-4,6-7,9H2.
What are the key properties of 1-[2-(hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one?
1-[2-(hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one has a molecular weight of 237.30 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 4876348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).