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

C14H26N2O2 — CID 56794340

IUPAC3-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC(CO)C1)N1CCCCC1
InChIInChI=1S/C14H26N2O2/c17-12-13-5-4-7-15(11-13)10-6-14(18)16-8-2-1-3-9-16/h13,17H,1-12H2
InChIKeyOKKIFIKURGSUSC-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.09
Rot. Bonds4

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

3-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 56794340) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID56794340
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC(CO)C1)N1CCCCC1
InChIInChI=1S/C14H26N2O2/c17-12-13-5-4-7-15(11-13)10-6-14(18)16-8-2-1-3-9-16/h13,17H,1-12H2
InChIKeyOKKIFIKURGSUSC-UHFFFAOYSA-N
XLogP1.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(hydroxymethyl)-1-piperidinyl]but-2-ynyl]-N-methylacetamide
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1-[3-(Hydroxymethyl)-1-piperidinyl]-3-methyl-1-butanone
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2-Fluoro-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
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2,2,2-Trifluoro-1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110294889
[3-(Hydroxymethyl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
CID 110903796
1-[4-[[3-Fluoro-3-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 137863038
3-[3-Fluoro-3-(hydroxymethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
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1-[3-[3-Fluoro-3-(hydroxymethyl)piperidine-1-carbonyl]azetidin-1-yl]ethanone
CID 167906859
4-[3-(Hydroxymethyl)piperidin-1-yl]-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]butan-2-one
CID 20292281
3-[(4-Hydroxypiperidino)methyl]-4-(hydroxypiperidino)butan-2-one
CID 20550696
1-[3-(Hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 20729525

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 56794340) is 3-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one is O=C(CCN1CCCC(CO)C1)N1CCCCC1.
What is the InChIKey of 3-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is OKKIFIKURGSUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-12-13-5-4-7-15(11-13)10-6-14(18)16-8-2-1-3-9-16/h13,17H,1-12H2.
What are the key properties of 3-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
3-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 56794340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).