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

C11H14ClNO3 — CID 106685775

IUPAC(2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccoc1Cl)N1CCCCC1CO
InChIInChI=1S/C11H14ClNO3/c12-10-9(4-6-16-10)11(15)13-5-2-1-3-8(13)7-14/h4,6,8,14H,1-3,5,7H2
InChIKeyVSJABRGOLCMBPD-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.92
Rot. Bonds2

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

(2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 106685775) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID106685775
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name(2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccoc1Cl)N1CCCCC1CO
InChIInChI=1S/C11H14ClNO3/c12-10-9(4-6-16-10)11(15)13-5-2-1-3-8(13)7-14/h4,6,8,14H,1-3,5,7H2
InChIKeyVSJABRGOLCMBPD-UHFFFAOYSA-N
XLogP1.92
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-bromoethyl)piperidin-1-yl]-(2-chlorofuran-3-yl)methanone
CID 106689928
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 43421327
(2-chlorofuran-3-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 112748131
(2-chlorofuran-3-yl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 106686764
(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid
CID 106683530
(4-chloro-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225917
(2-chlorofuran-3-yl)-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 120949943
[2-(hydroxymethyl)azepan-1-yl]-(3-methylfuran-2-yl)methanone
CID 116636174
1-(2-chlorofuran-3-carbonyl)pyrrolidine-2-carboxamide
CID 106685344
(2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 113351035
1-(2-chlorofuran-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 106686290
[2-(chloromethyl)azepan-1-yl]-(2-methylfuran-3-yl)methanone
CID 116639120

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 106685775) is (2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccoc1Cl)N1CCCCC1CO.
What is the InChIKey of (2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is VSJABRGOLCMBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c12-10-9(4-6-16-10)11(15)13-5-2-1-3-8(13)7-14/h4,6,8,14H,1-3,5,7H2.
What are the key properties of (2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 243.69 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106685775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).