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

C17H19NO3 — CID 43421115

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone
SMILESO=C(c1occc1-c1ccccc1)N1CCCCC1CO
InChIInChI=1S/C17H19NO3/c19-12-14-8-4-5-10-18(14)17(20)16-15(9-11-21-16)13-6-2-1-3-7-13/h1-3,6-7,9,11,14,19H,4-5,8,10,12H2
InChIKeyLMUGAMYMXVQQTI-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.93
Rot. Bonds3

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

[2-(hydroxymethyl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone (PubChem CID 43421115) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone
PubChem CID43421115
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone
SMILESO=C(c1occc1-c1ccccc1)N1CCCCC1CO
InChIInChI=1S/C17H19NO3/c19-12-14-8-4-5-10-18(14)17(20)16-15(9-11-21-16)13-6-2-1-3-7-13/h1-3,6-7,9,11,14,19H,4-5,8,10,12H2
InChIKeyLMUGAMYMXVQQTI-UHFFFAOYSA-N
XLogP2.93
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)azepan-1-yl]-(3-methylfuran-2-yl)methanone
CID 116636174
(2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 106685775
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 43421327
(4-benzylpiperidin-1-yl)-(3-phenylfuran-2-yl)methanone
CID 30532143
[2-(chloromethyl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 63395106
[2-(hydroxymethyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 61411316
3-[1-(3-bromofuran-2-carbonyl)piperidin-2-yl]propanoic acid
CID 120536867
(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
3-[2-(hydroxymethyl)azepane-1-carbonyl]benzoic acid
CID 116635788
(2-ethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636551
N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 97073184

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone (CID 43421115) is [2-(hydroxymethyl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone is O=C(c1occc1-c1ccccc1)N1CCCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone?
The InChIKey is LMUGAMYMXVQQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-12-14-8-4-5-10-18(14)17(20)16-15(9-11-21-16)13-6-2-1-3-7-13/h1-3,6-7,9,11,14,19H,4-5,8,10,12H2.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone?
[2-(hydroxymethyl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone has a molecular weight of 285.34 g/mol, XLogP of 2.93, 3 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]-(3-phenylfuran-2-yl)methanone is sourced from PubChem (CID 43421115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).