1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone

C15H16ClNO2 — CID 55188193

IUPAC1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC(CCl)CC1
InChIInChI=1S/C15H16ClNO2/c16-10-11-5-7-17(8-6-11)15(18)14-9-12-3-1-2-4-13(12)19-14/h1-4,9,11H,5-8,10H2
InChIKeyAIHPEOLQXZZPEM-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.52
Rot. Bonds2

About 1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone

1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone (PubChem CID 55188193) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
PubChem CID55188193
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC(CCl)CC1
InChIInChI=1S/C15H16ClNO2/c16-10-11-5-7-17(8-6-11)15(18)14-9-12-3-1-2-4-13(12)19-14/h1-4,9,11H,5-8,10H2
InChIKeyAIHPEOLQXZZPEM-UHFFFAOYSA-N
XLogP3.52
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.52
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-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
1-benzofuran-2-yl-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 49096129
1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 53235473
1-benzofuran-2-yl-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81210335
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
1-benzofuran-2-yl-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 114683163
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865130
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 94221459

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone (CID 55188193) is 1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCC(CCl)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone?
The InChIKey is AIHPEOLQXZZPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-10-11-5-7-17(8-6-11)15(18)14-9-12-3-1-2-4-13(12)19-14/h1-4,9,11H,5-8,10H2.
What are the key properties of 1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone?
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone has a molecular weight of 277.75 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 55188193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).