[2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone

C12H17NO3 — CID 43421327

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCCCC1CO
InChIInChI=1S/C12H17NO3/c1-9-11(5-7-16-9)12(15)13-6-3-2-4-10(13)8-14/h5,7,10,14H,2-4,6,8H2,1H3
InChIKeyKDKRGZCYIKDUKZ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.58
Rot. Bonds2

About [2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone

[2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 43421327) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID43421327
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCCCC1CO
InChIInChI=1S/C12H17NO3/c1-9-11(5-7-16-9)12(15)13-6-3-2-4-10(13)8-14/h5,7,10,14H,2-4,6,8H2,1H3
InChIKeyKDKRGZCYIKDUKZ-UHFFFAOYSA-N
XLogP1.58
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(chloromethyl)azepan-1-yl]-(2-methylfuran-3-yl)methanone
CID 116639120
(2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 106685775
N-[2-[(2R)-1-(2-methylfuran-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 94031800
[2-(hydroxymethyl)azepan-1-yl]-(3-methylfuran-2-yl)methanone
CID 116636174
(2-methylfuran-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95345998
[2-(3-chloropropyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 63396449
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421573
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-methylfuran-3-yl)methanone
CID 71929594
(2,5-dimethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635982
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 128988349
[2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 79807562
(3-chloro-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107097816

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 43421327) is [2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is KDKRGZCYIKDUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-11(5-7-16-9)12(15)13-6-3-2-4-10(13)8-14/h5,7,10,14H,2-4,6,8H2,1H3.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 223.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 43421327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).