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

C11H14ClNO2S — CID 80640844

IUPAC(3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1sccc1Cl)N1CCCC(CO)C1
InChIInChI=1S/C11H14ClNO2S/c12-9-3-5-16-10(9)11(15)13-4-1-2-8(6-13)7-14/h3,5,8,14H,1-2,4,6-7H2
InChIKeySZYASHVHWKGBNG-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.25
Rot. Bonds2

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

(3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 80640844) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID80640844
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name(3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1sccc1Cl)N1CCCC(CO)C1
InChIInChI=1S/C11H14ClNO2S/c12-9-3-5-16-10(9)11(15)13-4-1-2-8(6-13)7-14/h3,5,8,14H,1-2,4,6-7H2
InChIKeySZYASHVHWKGBNG-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone
CID 80641541
(3-chloropyrrolidin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 80641309
(3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403203
ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-3-carboxylate
CID 80642246
[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 43422291
(3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671123
(3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 115300132
[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 43589511
(4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 114683220
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589993
(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66464424
(3-chlorothiophen-2-yl)-[(6R)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]methanone
CID 124749226

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 80640844) is (3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1sccc1Cl)N1CCCC(CO)C1.
What is the InChIKey of (3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is SZYASHVHWKGBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c12-9-3-5-16-10(9)11(15)13-4-1-2-8(6-13)7-14/h3,5,8,14H,1-2,4,6-7H2.
What are the key properties of (3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 259.76 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 80640844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).