[2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone

C11H13Cl2NOS — CID 63395374

IUPAC[2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCCCC1CCl
InChIInChI=1S/C11H13Cl2NOS/c12-7-8-3-1-2-6-14(8)11(15)9-4-5-10(13)16-9/h4-5,8H,1-3,6-7H2
InChIKeyLTHVBINBVHIQLU-UHFFFAOYSA-N
MW278.20 g/mol
LogP3.63
Rot. Bonds2

About [2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone

[2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone (PubChem CID 63395374) has the molecular formula C11H13Cl2NOS and a molecular weight of 278.20 g/mol. Its IUPAC name is [2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone
PubChem CID63395374
Molecular FormulaC11H13Cl2NOS
Molecular Weight278.20 g/mol
Exact Mass277.01
IUPAC Name[2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCCCC1CCl
InChIInChI=1S/C11H13Cl2NOS/c12-7-8-3-1-2-6-14(8)11(15)9-4-5-10(13)16-9/h4-5,8H,1-3,6-7H2
InChIKeyLTHVBINBVHIQLU-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[1-(5-chlorothiophene-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549466
[2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
CID 107965848
[2-(chloromethyl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691011
(5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone
CID 106689862
[2-(chloromethyl)azepan-1-yl]-(2,3-dichlorophenyl)methanone
CID 116639124
(5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421504
2-[4-(5-chlorothiophene-2-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444651
1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 4014587
[2-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122367
(2-bromophenyl)-[2-(chloromethyl)azepan-1-yl]methanone
CID 116639241
[2-(chloromethyl)piperidin-1-yl]-(2,5-dihydroxyphenyl)methanone
CID 107725782
[2-(chloromethyl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 79757723

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The IUPAC name of [2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone (CID 63395374) is [2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The canonical SMILES for [2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone is O=C(c1ccc(Cl)s1)N1CCCCC1CCl.
What is the InChIKey of [2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone?
The InChIKey is LTHVBINBVHIQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NOS/c12-7-8-3-1-2-6-14(8)11(15)9-4-5-10(13)16-9/h4-5,8H,1-3,6-7H2.
What are the key properties of [2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone?
[2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone has a molecular weight of 278.20 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 63395374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).