[2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone

C14H21NO3 — CID 79539295

IUPAC[2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCCC2CC(C)O)o1
InChIInChI=1S/C14H21NO3/c1-10(16)9-12-5-3-4-8-15(12)14(17)13-7-6-11(2)18-13/h6-7,10,12,16H,3-5,8-9H2,1-2H3
InChIKeyRBVAXPXXIWHNRG-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.35
Rot. Bonds3

About [2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone

[2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 79539295) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
PubChem CID79539295
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCCC2CC(C)O)o1
InChIInChI=1S/C14H21NO3/c1-10(16)9-12-5-3-4-8-15(12)14(17)13-7-6-11(2)18-13/h6-7,10,12,16H,3-5,8-9H2,1-2H3
InChIKeyRBVAXPXXIWHNRG-UHFFFAOYSA-N
XLogP2.35
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 79560605
[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 116639926
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone;hydrochloride
CID 119468513
(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79560435
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 66261406
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 62467531
(3,5-dihydroxyphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 107704806
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 79560105
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 79549123
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79549260
[2-(2-hydroxypropyl)azepan-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 79539838
(2-chlorofuran-3-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 112748131

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone (CID 79539295) is [2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCCCC2CC(C)O)o1.
What is the InChIKey of [2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is RBVAXPXXIWHNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(16)9-12-5-3-4-8-15(12)14(17)13-7-6-11(2)18-13/h6-7,10,12,16H,3-5,8-9H2,1-2H3.
What are the key properties of [2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone?
[2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 79539295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).