[2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone

C11H12Cl3NOS — CID 107965848

IUPAC[2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCCCC1CCl
InChIInChI=1S/C11H12Cl3NOS/c12-6-7-3-1-2-4-15(7)11(16)8-5-9(13)17-10(8)14/h5,7H,1-4,6H2
InChIKeyPSZBRVATXMJJJV-UHFFFAOYSA-N
MW312.65 g/mol
LogP4.29
Rot. Bonds2

About [2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone

[2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 107965848) has the molecular formula C11H12Cl3NOS and a molecular weight of 312.65 g/mol. Its IUPAC name is [2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID107965848
Molecular FormulaC11H12Cl3NOS
Molecular Weight312.65 g/mol
Exact Mass310.97
IUPAC Name[2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCCCC1CCl
InChIInChI=1S/C11H12Cl3NOS/c12-6-7-3-1-2-4-15(7)11(16)8-5-9(13)17-10(8)14/h5,7H,1-4,6H2
InChIKeyPSZBRVATXMJJJV-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.65
LogP ≤ 54.29
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

[2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
CID 119467676
2-[1-(2,5-dichlorothiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 114020976
3-amino-N-[[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579762
[2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 63395374
(2,5-dichlorothiophen-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603586
[2-(chloromethyl)piperidin-1-yl]-(2,5-dihydroxyphenyl)methanone
CID 107725782
[2-(chloromethyl)azepan-1-yl]-(2,3-dichlorophenyl)methanone
CID 116639124
[2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 55186080
[2-(chloromethyl)azepan-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116639025
[2-(chloromethyl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 79757723
(2-bromophenyl)-[2-(chloromethyl)azepan-1-yl]methanone
CID 116639241
[2-(chloromethyl)azepan-1-yl]-(2-methylsulfanylphenyl)methanone
CID 116639289

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of [2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone (CID 107965848) is [2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for [2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone is O=C(c1cc(Cl)sc1Cl)N1CCCCC1CCl.
What is the InChIKey of [2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is PSZBRVATXMJJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NOS/c12-6-7-3-1-2-4-15(7)11(16)8-5-9(13)17-10(8)14/h5,7H,1-4,6H2.
What are the key properties of [2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone?
[2-(chloromethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone has a molecular weight of 312.65 g/mol, XLogP of 4.29, 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]-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 107965848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).